Browse entries in the PDBbind-CN Database
HEADER 5E80_COMPLEX COMPND 5E80_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 149 SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG GLY SEQRES 2 B 149 PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA ALA THR SEQRES 3 B 149 GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER VAL SEQRES 4 B 149 PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS ILE SEQRES 5 B 149 LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SER SEQRES 6 B 149 SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN LYS SEQRES 7 B 149 VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE PHE SEQRES 8 B 149 GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR TRP SEQRES 9 B 149 GLN SER LEU ILE GLU ALA ALA PRO GLU SER GLN MET MET SEQRES 10 B 149 PRO ALA SER VAL LEU THR GLY ASN VAL ILE ILE GLU THR SEQRES 11 B 149 LYS PHE PHE ASP ASP ASP LEU LEU VAL SER THR SER ARG SEQRES 12 B 149 VAL ARG LEU PHE TYR VAL HET UNN A 157 56 ATOM 1 N SER B 2 16.330 11.603 19.423 1.00 38.09 N ATOM 2 CA SER B 2 16.136 12.206 18.072 1.00 37.65 C ATOM 3 C SER B 2 14.700 12.702 17.939 1.00 38.66 C ATOM 4 O SER B 2 13.741 11.959 18.179 1.00 35.76 O ATOM 5 CB SER B 2 16.453 11.216 16.957 1.00 36.90 C ATOM 6 OG SER B 2 17.018 11.898 15.865 1.00 39.84 O ATOM 7 HG SER B 2 17.222 11.252 15.144 1.00 0.00 H ATOM 8 HN3 SER B 2 15.674 10.805 19.542 1.00 0.00 H ATOM 9 HN2 SER B 2 16.141 12.320 20.152 1.00 0.00 H ATOM 10 HN1 SER B 2 17.309 11.265 19.513 1.00 0.00 H ATOM 11 N ALA B 3 14.582 13.977 17.576 1.00 38.80 N ATOM 12 CA ALA B 3 13.314 14.611 17.292 1.00 37.43 C ATOM 13 C ALA B 3 12.697 14.001 16.054 1.00 37.03 C ATOM 14 O ALA B 3 11.475 13.916 15.956 1.00 36.42 O ATOM 15 CB ALA B 3 13.514 16.105 17.091 1.00 37.55 C ATOM 16 H ALA B 3 15.448 14.547 17.492 1.00 0.00 H ATOM 17 N LYS B 4 13.542 13.577 15.115 1.00 40.27 N ATOM 18 CA LYS B 4 13.072 12.915 13.881 1.00 41.42 C ATOM 19 C LYS B 4 12.352 11.631 14.171 1.00 40.14 C ATOM 20 O LYS B 4 11.247 11.425 13.692 1.00 41.29 O ATOM 21 CB LYS B 4 14.220 12.611 12.908 1.00 44.02 C ATOM 22 CG LYS B 4 14.700 13.799 12.076 1.00 46.96 C ATOM 23 CD LYS B 4 13.537 14.645 11.577 1.00 52.44 C ATOM 24 CE LYS B 4 13.921 15.548 10.417 1.00 58.25 C ATOM 25 NZ LYS B 4 12.703 16.087 9.745 1.00 61.10 N ATOM 26 HZ1 LYS B 4 12.130 15.298 9.383 1.00 0.00 H ATOM 27 HZ2 LYS B 4 12.145 16.636 10.430 1.00 0.00 H ATOM 28 HZ3 LYS B 4 12.987 16.701 8.955 1.00 0.00 H ATOM 29 H LYS B 4 14.563 13.716 15.255 1.00 0.00 H ATOM 30 N ASP B 5 12.966 10.766 14.963 1.00 39.97 N ATOM 31 CA ASP B 5 12.339 9.491 15.283 1.00 39.79 C ATOM 32 C ASP B 5 10.979 9.693 15.938 1.00 40.53 C ATOM 33 O ASP B 5 9.998 9.024 15.588 1.00 43.10 O ATOM 34 CB ASP B 5 13.231 8.676 16.206 1.00 41.94 C ATOM 35 CG ASP B 5 14.560 8.316 15.564 1.00 46.40 C ATOM 36 OD1 ASP B 5 14.922 8.945 14.542 1.00 53.73 O ATOM 37 OD2 ASP B 5 15.243 7.408 16.086 1.00 44.75 O ATOM 38 H ASP B 5 13.900 10.998 15.358 1.00 0.00 H ATOM 39 N GLU B 6 10.922 10.626 16.884 1.00 37.94 N ATOM 40 CA GLU B 6 9.719 10.844 17.662 1.00 37.17 C ATOM 41 C GLU B 6 8.639 11.496 16.812 1.00 35.58 C ATOM 42 O GLU B 6 7.462 11.172 16.967 1.00 35.95 O ATOM 43 CB GLU B 6 10.031 11.707 18.891 1.00 39.30 C ATOM 44 CG GLU B 6 8.840 12.000 19.794 1.00 40.33 C ATOM 45 CD GLU B 6 8.288 10.778 20.517 1.00 42.45 C ATOM 46 OE1 GLU B 6 8.979 9.745 20.628 1.00 43.65 O ATOM 47 OE2 GLU B 6 7.137 10.857 20.992 1.00 47.45 O ATOM 48 H GLU B 6 11.760 11.213 17.070 1.00 0.00 H ATOM 49 N ARG B 7 9.026 12.415 15.926 1.00 32.61 N ATOM 50 CA ARG B 7 8.055 13.030 15.032 1.00 30.53 C ATOM 51 C ARG B 7 7.408 11.929 14.195 1.00 30.02 C ATOM 52 O ARG B 7 6.188 11.835 14.129 1.00 31.52 O ATOM 53 CB ARG B 7 8.706 14.098 14.149 1.00 29.62 C ATOM 54 CG ARG B 7 7.761 14.759 13.145 1.00 30.23 C ATOM 55 CD ARG B 7 6.393 15.108 13.744 1.00 30.77 C ATOM 56 NE ARG B 7 5.454 15.692 12.784 1.00 30.35 N ATOM 57 CZ ARG B 7 4.226 16.114 13.101 1.00 31.41 C ATOM 58 NH1 ARG B 7 3.773 16.009 14.348 1.00 31.72 N ATOM 59 NH2 ARG B 7 3.433 16.634 12.174 1.00 30.61 N ATOM 60 HE ARG B 7 5.761 15.784 11.795 1.00 0.00 H ATOM 61 HH12 ARG B 7 2.816 16.341 14.583 1.00 0.00 H ATOM 62 HH11 ARG B 7 4.376 15.595 15.087 1.00 0.00 H ATOM 63 HH22 ARG B 7 2.479 16.960 12.429 1.00 0.00 H ATOM 64 HH21 ARG B 7 3.765 16.716 11.192 1.00 0.00 H ATOM 65 H ARG B 7 10.027 12.694 15.873 1.00 0.00 H ATOM 66 N ALA B 8 8.236 11.075 13.596 1.00 29.70 N ATOM 67 CA ALA B 8 7.770 9.876 12.882 1.00 28.84 C ATOM 68 C ALA B 8 6.839 9.031 13.749 1.00 28.89 C ATOM 69 O ALA B 8 5.791 8.566 13.286 1.00 29.43 O ATOM 70 CB ALA B 8 8.953 9.046 12.392 1.00 27.85 C ATOM 71 H ALA B 8 9.258 11.264 13.635 1.00 0.00 H ATOM 72 N ARG B 9 7.202 8.849 15.010 1.00 28.68 N ATOM 73 CA ARG B 9 6.331 8.130 15.923 1.00 30.97 C ATOM 74 C ARG B 9 4.967 8.808 16.137 1.00 31.64 C ATOM 75 O ARG B 9 3.950 8.108 16.197 1.00 29.71 O ATOM 76 CB ARG B 9 7.023 7.879 17.271 1.00 33.74 C ATOM 77 CG ARG B 9 7.826 6.592 17.311 1.00 34.69 C ATOM 78 CD ARG B 9 8.369 6.291 18.688 1.00 35.87 C ATOM 79 NE ARG B 9 9.767 5.920 18.551 1.00 38.08 N ATOM 80 CZ ARG B 9 10.808 6.723 18.776 1.00 38.57 C ATOM 81 NH1 ARG B 9 10.647 7.966 19.220 1.00 37.25 N ATOM 82 NH2 ARG B 9 12.037 6.257 18.576 1.00 39.52 N ATOM 83 HE ARG B 9 9.974 4.946 18.252 1.00 0.00 H ATOM 84 HH12 ARG B 9 11.477 8.570 19.387 1.00 0.00 H ATOM 85 HH11 ARG B 9 9.691 8.334 19.400 1.00 0.00 H ATOM 86 HH22 ARG B 9 12.860 6.870 18.747 1.00 0.00 H ATOM 87 HH21 ARG B 9 12.176 5.280 18.249 1.00 0.00 H ATOM 88 H ARG B 9 8.113 9.222 15.347 1.00 0.00 H ATOM 89 N GLU B 10 4.947 10.147 16.275 1.00 33.62 N ATOM 90 CA GLU B 10 3.687 10.905 16.485 1.00 33.28 C ATOM 91 C GLU B 10 2.800 10.732 15.264 1.00 32.34 C ATOM 92 O GLU B 10 1.601 10.457 15.378 1.00 31.18 O ATOM 93 CB GLU B 10 3.913 12.403 16.657 1.00 34.20 C ATOM 94 CG GLU B 10 4.644 12.874 17.895 1.00 36.53 C ATOM 95 CD GLU B 10 5.178 14.305 17.730 1.00 38.97 C ATOM 96 OE1 GLU B 10 4.808 14.956 16.726 1.00 42.20 O ATOM 97 OE2 GLU B 10 5.967 14.793 18.583 1.00 38.29 O ATOM 98 H GLU B 10 5.845 10.669 16.233 1.00 0.00 H ATOM 99 N ILE B 11 3.390 10.900 14.085 1.00 31.30 N ATOM 100 CA ILE B 11 2.620 10.727 12.859 1.00 32.64 C ATOM 101 C ILE B 11 1.935 9.351 12.826 1.00 32.24 C ATOM 102 O ILE B 11 0.734 9.263 12.563 1.00 30.99 O ATOM 103 CB ILE B 11 3.474 10.927 11.607 1.00 33.20 C ATOM 104 CG1 ILE B 11 4.011 12.364 11.533 1.00 34.33 C ATOM 105 CG2 ILE B 11 2.628 10.675 10.369 1.00 34.19 C ATOM 106 CD1 ILE B 11 5.247 12.519 10.666 1.00 33.37 C ATOM 107 H ILE B 11 4.397 11.154 14.037 1.00 0.00 H ATOM 108 N LEU B 12 2.703 8.303 13.140 1.00 34.00 N ATOM 109 CA LEU B 12 2.200 6.927 13.186 1.00 34.17 C ATOM 110 C LEU B 12 1.106 6.693 14.221 1.00 33.54 C ATOM 111 O LEU B 12 0.149 5.990 13.958 1.00 33.02 O ATOM 112 CB LEU B 12 3.339 5.945 13.451 1.00 34.99 C ATOM 113 CG LEU B 12 2.914 4.462 13.507 1.00 36.07 C ATOM 114 CD1 LEU B 12 2.179 4.091 12.222 1.00 36.37 C ATOM 115 CD2 LEU B 12 4.090 3.514 13.745 1.00 35.39 C ATOM 116 H LEU B 12 3.705 8.472 13.362 1.00 0.00 H ATOM 117 N ARG B 13 1.253 7.250 15.410 1.00 36.28 N ATOM 118 CA ARG B 13 0.226 7.070 16.431 1.00 37.03 C ATOM 119 C ARG B 13 -1.127 7.582 15.958 1.00 34.94 C ATOM 120 O ARG B 13 -2.141 7.055 16.384 1.00 34.00 O ATOM 121 CB ARG B 13 0.588 7.800 17.727 1.00 41.62 C ATOM 122 CG ARG B 13 1.539 7.041 18.619 1.00 45.85 C ATOM 123 CD ARG B 13 1.756 7.757 19.948 1.00 49.19 C ATOM 124 NE ARG B 13 3.103 7.456 20.442 1.00 51.60 N ATOM 125 CZ ARG B 13 4.172 8.242 20.298 1.00 51.55 C ATOM 126 NH1 ARG B 13 4.084 9.439 19.721 1.00 50.79 N ATOM 127 NH2 ARG B 13 5.346 7.829 20.761 1.00 54.45 N ATOM 128 HE ARG B 13 3.237 6.556 20.946 1.00 0.00 H ATOM 129 HH12 ARG B 13 4.933 10.032 19.621 1.00 0.00 H ATOM 130 HH11 ARG B 13 3.167 9.781 19.370 1.00 0.00 H ATOM 131 HH22 ARG B 13 6.187 8.431 20.656 1.00 0.00 H ATOM 132 HH21 ARG B 13 5.424 6.903 21.229 1.00 0.00 H ATOM 133 H ARG B 13 2.100 7.816 15.618 1.00 0.00 H ATOM 134 N GLY B 14 -1.141 8.609 15.102 1.00 32.41 N ATOM 135 CA GLY B 14 -2.378 9.308 14.758 1.00 32.26 C ATOM 136 C GLY B 14 -2.889 8.952 13.385 1.00 33.09 C ATOM 137 O GLY B 14 -3.847 9.542 12.879 1.00 31.14 O ATOM 138 H GLY B 14 -0.248 8.919 14.669 1.00 0.00 H ATOM 139 N PHE B 15 -2.243 7.969 12.785 1.00 33.64 N ATOM 140 CA PHE B 15 -2.521 7.602 11.418 1.00 35.81 C ATOM 141 C PHE B 15 -3.254 6.273 11.369 1.00 36.35 C ATOM 142 O PHE B 15 -2.909 5.358 12.104 1.00 37.47 O ATOM 143 CB PHE B 15 -1.199 7.459 10.663 1.00 36.52 C ATOM 144 CG PHE B 15 -1.367 7.052 9.240 1.00 37.83 C ATOM 145 CD1 PHE B 15 -1.489 8.009 8.247 1.00 39.14 C ATOM 146 CD2 PHE B 15 -1.420 5.713 8.887 1.00 38.95 C ATOM 147 CE1 PHE B 15 -1.652 7.639 6.921 1.00 38.60 C ATOM 148 CE2 PHE B 15 -1.592 5.336 7.563 1.00 39.00 C ATOM 149 CZ PHE B 15 -1.709 6.301 6.580 1.00 38.60 C ATOM 150 H PHE B 15 -1.515 7.446 13.312 1.00 0.00 H ATOM 151 N LYS B 16 -4.252 6.154 10.505 1.00 36.70 N ATOM 152 CA LYS B 16 -4.650 4.830 10.066 1.00 37.04 C ATOM 153 C LYS B 16 -5.267 4.775 8.681 1.00 36.51 C ATOM 154 O LYS B 16 -5.811 5.756 8.169 1.00 36.53 O ATOM 155 CB LYS B 16 -5.589 4.166 11.054 1.00 38.30 C ATOM 156 CG LYS B 16 -6.887 4.879 11.305 1.00 38.87 C ATOM 157 CD LYS B 16 -7.944 3.869 11.764 1.00 41.19 C ATOM 158 CE LYS B 16 -8.851 4.438 12.861 1.00 43.04 C ATOM 159 NZ LYS B 16 -9.286 5.860 12.636 1.00 42.54 N ATOM 160 HZ1 LYS B 16 -8.448 6.474 12.587 1.00 0.00 H ATOM 161 HZ2 LYS B 16 -9.815 5.922 11.743 1.00 0.00 H ATOM 162 HZ3 LYS B 16 -9.894 6.164 13.423 1.00 0.00 H ATOM 163 H LYS B 16 -4.743 6.998 10.147 1.00 0.00 H ATOM 164 N LEU B 17 -5.156 3.588 8.100 1.00 36.42 N ATOM 165 CA LEU B 17 -5.780 3.240 6.852 1.00 36.78 C ATOM 166 C LEU B 17 -7.120 2.581 7.183 1.00 36.11 C ATOM 167 O LEU B 17 -7.161 1.528 7.817 1.00 37.43 O ATOM 168 CB LEU B 17 -4.877 2.271 6.087 1.00 38.64 C ATOM 169 CG LEU B 17 -5.442 1.760 4.757 1.00 42.01 C ATOM 170 CD1 LEU B 17 -5.509 2.900 3.761 1.00 41.89 C ATOM 171 CD2 LEU B 17 -4.618 0.614 4.187 1.00 44.28 C ATOM 172 H LEU B 17 -4.582 2.864 8.577 1.00 0.00 H ATOM 173 N ASN B 18 -8.209 3.212 6.754 1.00 35.11 N ATOM 174 CA ASN B 18 -9.567 2.785 7.113 1.00 33.71 C ATOM 175 C ASN B 18 -10.046 1.691 6.166 1.00 35.06 C ATOM 176 O ASN B 18 -10.654 0.703 6.601 1.00 36.72 O ATOM 177 CB ASN B 18 -10.528 3.983 7.069 1.00 33.37 C ATOM 178 CG ASN B 18 -10.035 5.158 7.908 1.00 33.82 C ATOM 179 OD1 ASN B 18 -9.771 6.250 7.395 1.00 34.73 O ATOM 180 ND2 ASN B 18 -9.855 4.918 9.198 1.00 33.42 N ATOM 181 HD22 ASN B 18 -10.090 3.984 9.591 1.00 0.00 H ATOM 182 HD21 ASN B 18 -9.479 5.663 9.818 1.00 0.00 H ATOM 183 H ASN B 18 -8.094 4.042 6.139 1.00 0.00 H ATOM 184 N TRP B 19 -9.762 1.859 4.871 1.00 32.53 N ATOM 185 CA TRP B 19 -10.103 0.850 3.877 1.00 30.41 C ATOM 186 C TRP B 19 -9.327 1.058 2.603 1.00 30.67 C ATOM 187 O TRP B 19 -8.811 2.143 2.342 1.00 31.51 O ATOM 188 CB TRP B 19 -11.623 0.826 3.581 1.00 29.53 C ATOM 189 CG TRP B 19 -12.214 2.140 3.140 1.00 29.92 C ATOM 190 CD1 TRP B 19 -12.848 3.072 3.926 1.00 29.15 C ATOM 191 CD2 TRP B 19 -12.246 2.655 1.809 1.00 29.39 C ATOM 192 NE1 TRP B 19 -13.241 4.150 3.168 1.00 28.54 N ATOM 193 CE2 TRP B 19 -12.897 3.918 1.865 1.00 30.19 C ATOM 194 CE3 TRP B 19 -11.773 2.184 0.579 1.00 29.47 C ATOM 195 CZ2 TRP B 19 -13.088 4.716 0.732 1.00 32.04 C ATOM 196 CZ3 TRP B 19 -11.950 2.967 -0.543 1.00 32.01 C ATOM 197 CH2 TRP B 19 -12.612 4.230 -0.464 1.00 33.74 C ATOM 198 HE1 TRP B 19 -13.720 5.001 3.526 1.00 0.00 H ATOM 199 H TRP B 19 -9.286 2.732 4.565 1.00 0.00 H ATOM 200 N MET B 20 -9.238 0.000 1.813 1.00 32.12 N ATOM 201 CA MET B 20 -8.806 0.118 0.439 1.00 34.39 C ATOM 202 C MET B 20 -9.628 -0.740 -0.529 1.00 35.60 C ATOM 203 O MET B 20 -10.343 -1.659 -0.116 1.00 37.59 O ATOM 204 CB MET B 20 -7.320 -0.191 0.321 1.00 35.74 C ATOM 205 CG MET B 20 -6.873 -1.524 0.882 1.00 37.72 C ATOM 206 SD MET B 20 -5.171 -1.866 0.382 1.00 39.82 S ATOM 207 CE MET B 20 -5.384 -2.163 -1.376 1.00 38.55 C ATOM 208 H MET B 20 -9.485 -0.938 2.190 1.00 0.00 H ATOM 209 N ASN B 21 -9.522 -0.406 -1.814 1.00 36.27 N ATOM 210 CA ASN B 21 -10.155 -1.141 -2.927 1.00 35.48 C ATOM 211 C ASN B 21 -9.115 -1.498 -3.953 1.00 31.68 C ATOM 212 O ASN B 21 -8.084 -0.859 -4.037 1.00 28.90 O ATOM 213 CB ASN B 21 -11.129 -0.253 -3.704 1.00 36.95 C ATOM 214 CG ASN B 21 -12.301 0.193 -2.887 1.00 40.68 C ATOM 215 OD1 ASN B 21 -12.705 -0.458 -1.916 1.00 47.57 O ATOM 216 ND2 ASN B 21 -12.878 1.310 -3.285 1.00 42.88 N ATOM 217 HD22 ASN B 21 -12.503 1.824 -4.108 1.00 0.00 H ATOM 218 HD21 ASN B 21 -13.708 1.677 -2.776 1.00 0.00 H ATOM 219 H ASN B 21 -8.953 0.432 -2.050 1.00 0.00 H ATOM 220 N LEU B 22 -9.428 -2.495 -4.767 1.00 30.53 N ATOM 221 CA LEU B 22 -8.731 -2.710 -6.028 1.00 29.91 C ATOM 222 C LEU B 22 -9.759 -2.895 -7.121 1.00 29.14 C ATOM 223 O LEU B 22 -10.694 -3.688 -6.959 1.00 31.08 O ATOM 224 CB LEU B 22 -7.806 -3.926 -5.940 1.00 29.21 C ATOM 225 CG LEU B 22 -6.644 -3.801 -4.961 1.00 28.50 C ATOM 226 CD1 LEU B 22 -5.953 -5.134 -4.868 1.00 29.16 C ATOM 227 CD2 LEU B 22 -5.651 -2.742 -5.411 1.00 29.05 C ATOM 228 H LEU B 22 -10.195 -3.144 -4.498 1.00 0.00 H ATOM 229 N ARG B 23 -9.608 -2.133 -8.202 1.00 29.55 N ATOM 230 CA ARG B 23 -10.479 -2.233 -9.385 1.00 30.55 C ATOM 231 C ARG B 23 -9.679 -2.575 -10.634 1.00 30.54 C ATOM 232 O ARG B 23 -8.502 -2.276 -10.717 1.00 30.55 O ATOM 233 CB ARG B 23 -11.211 -0.910 -9.634 1.00 29.97 C ATOM 234 CG ARG B 23 -12.102 -0.459 -8.500 1.00 30.27 C ATOM 235 CD ARG B 23 -12.611 0.946 -8.772 1.00 31.67 C ATOM 236 NE ARG B 23 -13.296 1.525 -7.616 1.00 32.06 N ATOM 237 CZ ARG B 23 -14.550 1.233 -7.265 1.00 31.69 C ATOM 238 NH1 ARG B 23 -15.270 0.375 -7.973 1.00 31.08 N ATOM 239 NH2 ARG B 23 -15.083 1.798 -6.197 1.00 31.41 N ATOM 240 HE ARG B 23 -12.773 2.207 -7.031 1.00 0.00 H ATOM 241 HH12 ARG B 23 -16.246 0.156 -7.688 1.00 0.00 H ATOM 242 HH11 ARG B 23 -14.859 -0.080 -8.813 1.00 0.00 H ATOM 243 HH22 ARG B 23 -16.060 1.572 -5.922 1.00 0.00 H ATOM 244 HH21 ARG B 23 -14.526 2.469 -5.631 1.00 0.00 H ATOM 245 H ARG B 23 -8.838 -1.434 -8.211 1.00 0.00 H ATOM 246 N ASP B 24 -10.331 -3.205 -11.600 1.00 31.34 N ATOM 247 CA ASP B 24 -9.786 -3.319 -12.924 1.00 33.03 C ATOM 248 C ASP B 24 -9.756 -1.899 -13.453 1.00 32.75 C ATOM 249 O ASP B 24 -10.792 -1.251 -13.512 1.00 34.10 O ATOM 250 CB ASP B 24 -10.697 -4.190 -13.778 1.00 36.57 C ATOM 251 CG ASP B 24 -10.203 -4.350 -15.213 1.00 37.64 C ATOM 252 OD1 ASP B 24 -9.941 -3.339 -15.887 1.00 38.84 O ATOM 253 OD2 ASP B 24 -10.113 -5.501 -15.674 1.00 39.17 O ATOM 254 H ASP B 24 -11.259 -3.627 -11.395 1.00 0.00 H ATOM 255 N ALA B 25 -8.573 -1.425 -13.831 1.00 32.37 N ATOM 256 CA ALA B 25 -8.391 -0.052 -14.270 1.00 34.45 C ATOM 257 C ALA B 25 -9.128 0.269 -15.565 1.00 37.17 C ATOM 258 O ALA B 25 -9.399 1.439 -15.831 1.00 39.38 O ATOM 259 CB ALA B 25 -6.912 0.249 -14.441 1.00 34.76 C ATOM 260 H ALA B 25 -7.749 -2.059 -13.812 1.00 0.00 H ATOM 261 N ALA B 26 -9.428 -0.745 -16.382 1.00 37.92 N ATOM 262 CA ALA B 26 -10.143 -0.525 -17.650 1.00 38.93 C ATOM 263 C ALA B 26 -11.677 -0.440 -17.450 1.00 39.14 C ATOM 264 O ALA B 26 -12.288 0.560 -17.787 1.00 39.80 O ATOM 265 CB ALA B 26 -9.768 -1.593 -18.676 1.00 37.63 C ATOM 266 H ALA B 26 -9.150 -1.711 -16.116 1.00 0.00 H ATOM 267 N THR B 27 -12.288 -1.474 -16.884 1.00 39.03 N ATOM 268 CA THR B 27 -13.734 -1.483 -16.649 1.00 37.45 C ATOM 269 C THR B 27 -14.168 -0.616 -15.455 1.00 38.21 C ATOM 270 O THR B 27 -15.214 0.007 -15.508 1.00 38.89 O ATOM 271 CB THR B 27 -14.237 -2.909 -16.373 1.00 36.02 C ATOM 272 OG1 THR B 27 -13.634 -3.398 -15.164 1.00 34.81 O ATOM 273 CG2 THR B 27 -13.898 -3.830 -17.541 1.00 34.04 C ATOM 274 HG1 THR B 27 -13.956 -4.317 -14.984 1.00 0.00 H ATOM 275 H THR B 27 -11.724 -2.300 -16.600 1.00 0.00 H ATOM 276 N GLY B 28 -13.377 -0.593 -14.380 1.00 37.74 N ATOM 277 CA GLY B 28 -13.774 0.054 -13.122 1.00 36.31 C ATOM 278 C GLY B 28 -14.444 -0.869 -12.107 1.00 36.95 C ATOM 279 O GLY B 28 -14.868 -0.410 -11.054 1.00 37.09 O ATOM 280 H GLY B 28 -12.445 -1.050 -14.435 1.00 0.00 H ATOM 281 N LYS B 29 -14.519 -2.169 -12.388 1.00 37.73 N ATOM 282 CA LYS B 29 -15.203 -3.108 -11.488 1.00 42.40 C ATOM 283 C LYS B 29 -14.336 -3.553 -10.295 1.00 39.23 C ATOM 284 O LYS B 29 -13.125 -3.746 -10.421 1.00 37.10 O ATOM 285 CB LYS B 29 -15.738 -4.340 -12.265 1.00 49.59 C ATOM 286 CG LYS B 29 -16.747 -5.196 -11.483 1.00 55.62 C ATOM 287 CD LYS B 29 -18.076 -5.383 -12.210 1.00 60.77 C ATOM 288 CE LYS B 29 -18.987 -4.158 -12.068 1.00 63.36 C ATOM 289 NZ LYS B 29 -19.990 -4.070 -13.177 1.00 64.64 N ATOM 290 HZ1 LYS B 29 -19.493 -4.001 -14.088 1.00 0.00 H ATOM 291 HZ2 LYS B 29 -20.588 -4.921 -13.171 1.00 0.00 H ATOM 292 HZ3 LYS B 29 -20.584 -3.227 -13.040 1.00 0.00 H ATOM 293 H LYS B 29 -14.084 -2.527 -13.262 1.00 0.00 H ATOM 294 N ILE B 30 -14.974 -3.715 -9.139 1.00 35.59 N ATOM 295 CA ILE B 30 -14.269 -4.057 -7.934 1.00 35.11 C ATOM 296 C ILE B 30 -13.676 -5.432 -8.081 1.00 35.53 C ATOM 297 O ILE B 30 -14.341 -6.322 -8.586 1.00 35.04 O ATOM 298 CB ILE B 30 -15.203 -4.072 -6.719 1.00 35.34 C ATOM 299 CG1 ILE B 30 -15.513 -2.643 -6.280 1.00 37.04 C ATOM 300 CG2 ILE B 30 -14.578 -4.839 -5.555 1.00 35.07 C ATOM 301 CD1 ILE B 30 -14.406 -1.982 -5.480 1.00 38.32 C ATOM 302 H ILE B 30 -16.006 -3.591 -9.106 1.00 0.00 H ATOM 303 N LEU B 31 -12.434 -5.600 -7.627 1.00 35.31 N ATOM 304 CA LEU B 31 -11.816 -6.929 -7.521 1.00 35.89 C ATOM 305 C LEU B 31 -11.704 -7.409 -6.085 1.00 34.97 C ATOM 306 O LEU B 31 -11.944 -8.578 -5.796 1.00 39.79 O ATOM 307 CB LEU B 31 -10.425 -6.929 -8.149 1.00 35.97 C ATOM 308 CG LEU B 31 -10.414 -6.426 -9.591 1.00 36.09 C ATOM 309 CD1 LEU B 31 -8.995 -6.217 -10.078 1.00 37.57 C ATOM 310 CD2 LEU B 31 -11.181 -7.341 -10.532 1.00 35.61 C ATOM 311 H LEU B 31 -11.885 -4.765 -7.339 1.00 0.00 H ATOM 312 N TRP B 32 -11.332 -6.497 -5.195 1.00 33.47 N ATOM 313 CA TRP B 32 -11.026 -6.813 -3.810 1.00 30.35 C ATOM 314 C TRP B 32 -11.198 -5.568 -2.996 1.00 29.05 C ATOM 315 O TRP B 32 -10.947 -4.470 -3.484 1.00 28.37 O ATOM 316 CB TRP B 32 -9.570 -7.234 -3.697 1.00 31.05 C ATOM 317 CG TRP B 32 -9.185 -7.687 -2.338 1.00 31.73 C ATOM 318 CD1 TRP B 32 -9.439 -8.908 -1.788 1.00 30.70 C ATOM 319 CD2 TRP B 32 -8.479 -6.938 -1.350 1.00 31.61 C ATOM 320 NE1 TRP B 32 -8.939 -8.967 -0.519 1.00 31.19 N ATOM 321 CE2 TRP B 32 -8.346 -7.772 -0.212 1.00 31.85 C ATOM 322 CE3 TRP B 32 -7.954 -5.647 -1.307 1.00 32.46 C ATOM 323 CZ2 TRP B 32 -7.697 -7.362 0.969 1.00 31.41 C ATOM 324 CZ3 TRP B 32 -7.301 -5.230 -0.135 1.00 34.90 C ATOM 325 CH2 TRP B 32 -7.179 -6.098 0.991 1.00 33.15 C ATOM 326 HE1 TRP B 32 -8.999 -9.790 0.114 1.00 0.00 H ATOM 327 H TRP B 32 -11.256 -5.507 -5.504 1.00 0.00 H ATOM 328 N GLN B 33 -11.594 -5.732 -1.745 1.00 30.60 N ATOM 329 CA GLN B 33 -11.600 -4.615 -0.799 1.00 31.78 C ATOM 330 C GLN B 33 -11.275 -5.042 0.614 1.00 33.10 C ATOM 331 O GLN B 33 -11.618 -6.140 1.009 1.00 36.17 O ATOM 332 CB GLN B 33 -12.940 -3.892 -0.846 1.00 31.83 C ATOM 333 CG GLN B 33 -14.178 -4.730 -0.655 1.00 30.78 C ATOM 334 CD GLN B 33 -15.412 -4.027 -1.193 1.00 31.03 C ATOM 335 OE1 GLN B 33 -15.368 -2.846 -1.511 1.00 32.60 O ATOM 336 NE2 GLN B 33 -16.516 -4.750 -1.299 1.00 30.48 N ATOM 337 HE22 GLN B 33 -16.511 -5.751 -1.018 1.00 0.00 H ATOM 338 HE21 GLN B 33 -17.388 -4.317 -1.664 1.00 0.00 H ATOM 339 H GLN B 33 -11.907 -6.672 -1.428 1.00 0.00 H ATOM 340 N GLY B 34 -10.598 -4.186 1.376 1.00 35.16 N ATOM 341 CA GLY B 34 -10.163 -4.547 2.733 1.00 34.41 C ATOM 342 C GLY B 34 -10.439 -3.437 3.725 1.00 36.74 C ATOM 343 O GLY B 34 -10.500 -2.268 3.351 1.00 33.78 O ATOM 344 H GLY B 34 -10.372 -3.242 1.003 1.00 0.00 H ATOM 345 N THR B 35 -10.595 -3.803 4.997 1.00 40.29 N ATOM 346 CA THR B 35 -10.931 -2.834 6.048 1.00 43.95 C ATOM 347 C THR B 35 -9.945 -2.831 7.220 1.00 44.41 C ATOM 348 O THR B 35 -10.018 -1.976 8.091 1.00 44.81 O ATOM 349 CB THR B 35 -12.385 -3.048 6.565 1.00 46.07 C ATOM 350 OG1 THR B 35 -12.535 -4.382 7.063 1.00 46.61 O ATOM 351 CG2 THR B 35 -13.416 -2.813 5.436 1.00 42.89 C ATOM 352 HG1 THR B 35 -13.461 -4.509 7.389 1.00 0.00 H ATOM 353 H THR B 35 -10.475 -4.804 5.253 1.00 0.00 H ATOM 354 N GLU B 36 -8.994 -3.754 7.223 1.00 45.72 N ATOM 355 CA GLU B 36 -8.016 -3.815 8.288 1.00 46.70 C ATOM 356 C GLU B 36 -6.955 -2.737 8.089 1.00 47.43 C ATOM 357 O GLU B 36 -6.617 -2.416 6.964 1.00 46.50 O ATOM 358 CB GLU B 36 -7.401 -5.206 8.326 1.00 50.08 C ATOM 359 CG GLU B 36 -8.411 -6.300 8.669 1.00 53.91 C ATOM 360 CD GLU B 36 -7.843 -7.698 8.482 1.00 60.53 C ATOM 361 OE1 GLU B 36 -7.739 -8.149 7.316 1.00 63.76 O ATOM 362 OE2 GLU B 36 -7.503 -8.349 9.499 1.00 60.50 O ATOM 363 H GLU B 36 -8.950 -4.446 6.448 1.00 0.00 H ATOM 364 N ASP B 37 -6.448 -2.156 9.178 1.00 50.75 N ATOM 365 CA ASP B 37 -5.392 -1.146 9.080 1.00 48.87 C ATOM 366 C ASP B 37 -4.031 -1.789 8.778 1.00 49.93 C ATOM 367 O ASP B 37 -3.349 -2.304 9.680 1.00 49.10 O ATOM 368 CB ASP B 37 -5.302 -0.290 10.344 1.00 47.28 C ATOM 369 CG ASP B 37 -4.233 0.780 10.237 1.00 45.58 C ATOM 370 OD1 ASP B 37 -3.557 0.813 9.197 1.00 42.75 O ATOM 371 OD2 ASP B 37 -4.056 1.577 11.179 1.00 44.09 O ATOM 372 H ASP B 37 -6.810 -2.426 10.115 1.00 0.00 H ATOM 373 N LEU B 38 -3.648 -1.733 7.498 1.00 48.68 N ATOM 374 CA LEU B 38 -2.385 -2.315 7.024 1.00 47.27 C ATOM 375 C LEU B 38 -1.219 -1.349 7.104 1.00 45.16 C ATOM 376 O LEU B 38 -0.110 -1.690 6.703 1.00 46.23 O ATOM 377 CB LEU B 38 -2.520 -2.819 5.593 1.00 46.38 C ATOM 378 CG LEU B 38 -3.654 -3.812 5.392 1.00 46.69 C ATOM 379 CD1 LEU B 38 -3.736 -4.186 3.923 1.00 48.17 C ATOM 380 CD2 LEU B 38 -3.470 -5.045 6.266 1.00 44.98 C ATOM 381 H LEU B 38 -4.268 -1.259 6.811 1.00 0.00 H ATOM 382 N SER B 39 -1.467 -0.154 7.634 1.00 43.02 N ATOM 383 CA SER B 39 -0.386 0.720 8.065 1.00 40.38 C ATOM 384 C SER B 39 0.405 0.084 9.205 1.00 40.18 C ATOM 385 O SER B 39 1.522 0.518 9.481 1.00 40.72 O ATOM 386 CB SER B 39 -0.917 2.066 8.569 1.00 37.76 C ATOM 387 OG SER B 39 -1.021 2.058 9.991 1.00 35.08 O ATOM 388 HG SER B 39 -1.642 1.340 10.271 1.00 0.00 H ATOM 389 H SER B 39 -2.452 0.161 7.742 1.00 0.00 H ATOM 390 N VAL B 40 -0.186 -0.907 9.879 1.00 40.25 N ATOM 391 CA VAL B 40 0.320 -1.369 11.171 1.00 41.33 C ATOM 392 C VAL B 40 1.573 -2.207 10.951 1.00 40.86 C ATOM 393 O VAL B 40 1.527 -3.223 10.266 1.00 43.61 O ATOM 394 CB VAL B 40 -0.749 -2.168 11.975 1.00 42.18 C ATOM 395 CG1 VAL B 40 -0.151 -2.777 13.243 1.00 42.45 C ATOM 396 CG2 VAL B 40 -1.923 -1.278 12.334 1.00 40.88 C ATOM 397 H VAL B 40 -1.029 -1.362 9.474 1.00 0.00 H ATOM 398 N PRO B 41 2.699 -1.773 11.523 1.00 40.38 N ATOM 399 CA PRO B 41 3.958 -2.494 11.397 1.00 41.95 C ATOM 400 C PRO B 41 4.126 -3.583 12.459 1.00 43.53 C ATOM 401 O PRO B 41 3.476 -3.534 13.504 1.00 45.76 O ATOM 402 CB PRO B 41 4.997 -1.391 11.613 1.00 41.97 C ATOM 403 CG PRO B 41 4.341 -0.462 12.573 1.00 41.80 C ATOM 404 CD PRO B 41 2.864 -0.514 12.276 1.00 41.01 C ATOM 405 N GLY B 42 4.997 -4.554 12.190 1.00 45.39 N ATOM 406 CA GLY B 42 5.243 -5.656 13.127 1.00 46.76 C ATOM 407 C GLY B 42 4.423 -6.913 12.874 1.00 47.71 C ATOM 408 O GLY B 42 4.895 -8.017 13.114 1.00 49.35 O ATOM 409 H GLY B 42 5.518 -4.530 11.290 1.00 0.00 H ATOM 410 N VAL B 43 3.189 -6.745 12.412 1.00 47.85 N ATOM 411 CA VAL B 43 2.319 -7.861 12.080 1.00 47.81 C ATOM 412 C VAL B 43 2.488 -8.085 10.578 1.00 48.22 C ATOM 413 O VAL B 43 2.567 -7.118 9.828 1.00 51.68 O ATOM 414 CB VAL B 43 0.846 -7.537 12.475 1.00 47.48 C ATOM 415 CG1 VAL B 43 -0.150 -8.540 11.906 1.00 45.88 C ATOM 416 CG2 VAL B 43 0.715 -7.470 13.986 1.00 46.87 C ATOM 417 H VAL B 43 2.831 -5.777 12.283 1.00 0.00 H ATOM 418 N GLU B 44 2.592 -9.345 10.143 1.00 49.32 N ATOM 419 CA GLU B 44 2.532 -9.667 8.707 1.00 49.75 C ATOM 420 C GLU B 44 1.070 -9.836 8.312 1.00 46.18 C ATOM 421 O GLU B 44 0.378 -10.772 8.736 1.00 45.10 O ATOM 422 CB GLU B 44 3.337 -10.921 8.326 1.00 53.95 C ATOM 423 CG GLU B 44 3.952 -10.813 6.930 1.00 58.89 C ATOM 424 CD GLU B 44 4.649 -12.081 6.438 1.00 64.85 C ATOM 425 OE1 GLU B 44 5.814 -11.969 5.978 1.00 71.67 O ATOM 426 OE2 GLU B 44 4.038 -13.179 6.475 1.00 60.13 O ATOM 427 H GLU B 44 2.718 -10.113 10.833 1.00 0.00 H ATOM 428 N HIS B 45 0.595 -8.906 7.507 1.00 38.61 N ATOM 429 CA HIS B 45 -0.768 -8.934 7.105 1.00 35.23 C ATOM 430 C HIS B 45 -0.945 -9.882 5.899 1.00 36.33 C ATOM 431 O HIS B 45 0.018 -10.312 5.239 1.00 35.23 O ATOM 432 CB HIS B 45 -1.234 -7.511 6.805 1.00 35.41 C ATOM 433 CG HIS B 45 -0.965 -6.538 7.916 1.00 36.71 C ATOM 434 ND1 HIS B 45 -1.861 -6.309 8.937 1.00 35.41 N ATOM 435 CD2 HIS B 45 0.104 -5.739 8.165 1.00 36.99 C ATOM 436 CE1 HIS B 45 -1.360 -5.408 9.761 1.00 37.11 C ATOM 437 NE2 HIS B 45 -0.164 -5.055 9.322 1.00 36.82 N ATOM 438 H HIS B 45 1.220 -8.149 7.165 1.00 0.00 H ATOM 439 N GLU B 46 -2.202 -10.194 5.627 1.00 36.36 N ATOM 440 CA GLU B 46 -2.577 -11.217 4.688 1.00 35.71 C ATOM 441 C GLU B 46 -3.620 -10.582 3.813 1.00 33.34 C ATOM 442 O GLU B 46 -4.418 -9.773 4.293 1.00 30.91 O ATOM 443 CB GLU B 46 -3.182 -12.390 5.447 1.00 39.50 C ATOM 444 CG GLU B 46 -3.016 -13.748 4.792 1.00 43.69 C ATOM 445 CD GLU B 46 -4.015 -14.770 5.326 1.00 46.54 C ATOM 446 OE1 GLU B 46 -5.249 -14.508 5.236 1.00 43.82 O ATOM 447 OE2 GLU B 46 -3.558 -15.833 5.825 1.00 46.47 O ATOM 448 H GLU B 46 -2.957 -9.673 6.117 1.00 0.00 H ATOM 449 N ALA B 47 -3.599 -10.919 2.527 1.00 30.96 N ATOM 450 CA ALA B 47 -4.589 -10.410 1.597 1.00 30.41 C ATOM 451 C ALA B 47 -4.890 -11.501 0.578 1.00 32.55 C ATOM 452 O ALA B 47 -4.009 -11.954 -0.185 1.00 31.70 O ATOM 453 CB ALA B 47 -4.106 -9.135 0.932 1.00 28.50 C ATOM 454 H ALA B 47 -2.857 -11.561 2.181 1.00 0.00 H ATOM 455 N ARG B 48 -6.140 -11.947 0.595 1.00 34.13 N ATOM 456 CA ARG B 48 -6.574 -13.000 -0.290 1.00 33.62 C ATOM 457 C ARG B 48 -7.352 -12.302 -1.397 1.00 32.48 C ATOM 458 O ARG B 48 -8.490 -11.925 -1.220 1.00 29.27 O ATOM 459 CB ARG B 48 -7.379 -14.054 0.476 1.00 34.47 C ATOM 460 CG ARG B 48 -6.749 -14.428 1.818 1.00 37.80 C ATOM 461 CD ARG B 48 -7.353 -15.669 2.467 1.00 40.23 C ATOM 462 NE ARG B 48 -6.908 -16.874 1.762 1.00 45.81 N ATOM 463 CZ ARG B 48 -5.837 -17.609 2.075 1.00 47.57 C ATOM 464 NH1 ARG B 48 -5.070 -17.305 3.124 1.00 45.32 N ATOM 465 NH2 ARG B 48 -5.531 -18.670 1.324 1.00 48.66 N ATOM 466 HE ARG B 48 -7.475 -17.184 0.947 1.00 0.00 H ATOM 467 HH12 ARG B 48 -4.241 -17.891 3.349 1.00 0.00 H ATOM 468 HH11 ARG B 48 -5.301 -16.482 3.716 1.00 0.00 H ATOM 469 HH22 ARG B 48 -4.700 -19.250 1.557 1.00 0.00 H ATOM 470 HH21 ARG B 48 -6.124 -18.916 0.506 1.00 0.00 H ATOM 471 H ARG B 48 -6.821 -11.528 1.260 1.00 0.00 H ATOM 472 N VAL B 49 -6.684 -12.126 -2.536 1.00 34.94 N ATOM 473 CA VAL B 49 -7.179 -11.363 -3.682 1.00 35.16 C ATOM 474 C VAL B 49 -7.522 -12.325 -4.824 1.00 34.50 C ATOM 475 O VAL B 49 -6.693 -13.158 -5.164 1.00 31.96 O ATOM 476 CB VAL B 49 -6.069 -10.418 -4.195 1.00 35.79 C ATOM 477 CG1 VAL B 49 -6.525 -9.681 -5.424 1.00 37.96 C ATOM 478 CG2 VAL B 49 -5.674 -9.407 -3.142 1.00 37.80 C ATOM 479 H VAL B 49 -5.743 -12.562 -2.616 1.00 0.00 H ATOM 480 N PRO B 50 -8.733 -12.217 -5.419 1.00 37.09 N ATOM 481 CA PRO B 50 -9.070 -13.015 -6.602 1.00 37.23 C ATOM 482 C PRO B 50 -8.010 -13.019 -7.672 1.00 36.89 C ATOM 483 O PRO B 50 -7.440 -11.981 -7.971 1.00 35.08 O ATOM 484 CB PRO B 50 -10.332 -12.332 -7.148 1.00 37.72 C ATOM 485 CG PRO B 50 -10.681 -11.253 -6.172 1.00 38.45 C ATOM 486 CD PRO B 50 -9.950 -11.573 -4.904 1.00 39.18 C ATOM 487 N LYS B 51 -7.774 -14.184 -8.259 1.00 39.34 N ATOM 488 CA LYS B 51 -6.716 -14.332 -9.251 1.00 40.57 C ATOM 489 C LYS B 51 -6.982 -13.624 -10.583 1.00 38.89 C ATOM 490 O LYS B 51 -6.029 -13.343 -11.308 1.00 40.38 O ATOM 491 CB LYS B 51 -6.359 -15.807 -9.462 1.00 43.05 C ATOM 492 CG LYS B 51 -7.417 -16.707 -10.082 1.00 43.31 C ATOM 493 CD LYS B 51 -6.930 -18.152 -9.998 1.00 46.32 C ATOM 494 CE LYS B 51 -7.593 -19.056 -11.018 1.00 47.70 C ATOM 495 NZ LYS B 51 -9.039 -19.202 -10.741 1.00 47.54 N ATOM 496 HZ1 LYS B 51 -9.170 -19.615 -9.795 1.00 0.00 H ATOM 497 HZ2 LYS B 51 -9.494 -18.268 -10.779 1.00 0.00 H ATOM 498 HZ3 LYS B 51 -9.466 -19.826 -11.455 1.00 0.00 H ATOM 499 H LYS B 51 -8.355 -15.009 -8.007 1.00 0.00 H ATOM 500 N LYS B 52 -8.237 -13.305 -10.891 1.00 37.38 N ATOM 501 CA LYS B 52 -8.552 -12.535 -12.108 1.00 41.14 C ATOM 502 C LYS B 52 -7.854 -11.177 -12.178 1.00 43.05 C ATOM 503 O LYS B 52 -7.675 -10.618 -13.266 1.00 45.37 O ATOM 504 CB LYS B 52 -10.069 -12.358 -12.322 1.00 44.66 C ATOM 505 CG LYS B 52 -10.913 -11.861 -11.153 1.00 47.60 C ATOM 506 CD LYS B 52 -12.361 -11.641 -11.609 1.00 52.18 C ATOM 507 CE LYS B 52 -13.368 -11.538 -10.455 1.00 57.65 C ATOM 508 NZ LYS B 52 -13.766 -12.852 -9.843 1.00 56.52 N ATOM 509 HZ1 LYS B 52 -14.204 -13.453 -10.570 1.00 0.00 H ATOM 510 HZ2 LYS B 52 -12.922 -13.326 -9.462 1.00 0.00 H ATOM 511 HZ3 LYS B 52 -14.446 -12.683 -9.075 1.00 0.00 H ATOM 512 H LYS B 52 -9.009 -13.604 -10.262 1.00 0.00 H ATOM 513 N ILE B 53 -7.459 -10.652 -11.021 1.00 42.29 N ATOM 514 CA ILE B 53 -6.616 -9.471 -10.955 1.00 41.56 C ATOM 515 C ILE B 53 -5.314 -9.644 -11.749 1.00 40.39 C ATOM 516 O ILE B 53 -4.768 -8.673 -12.257 1.00 40.82 O ATOM 517 CB ILE B 53 -6.289 -9.092 -9.487 1.00 42.89 C ATOM 518 CG1 ILE B 53 -5.826 -7.637 -9.399 1.00 42.40 C ATOM 519 CG2 ILE B 53 -5.222 -10.011 -8.897 1.00 44.12 C ATOM 520 CD1 ILE B 53 -5.702 -7.131 -7.983 1.00 42.97 C ATOM 521 H ILE B 53 -7.764 -11.102 -10.134 1.00 0.00 H ATOM 522 N LEU B 54 -4.814 -10.869 -11.859 1.00 38.72 N ATOM 523 CA LEU B 54 -3.640 -11.112 -12.689 1.00 37.75 C ATOM 524 C LEU B 54 -3.925 -10.997 -14.168 1.00 36.25 C ATOM 525 O LEU B 54 -3.018 -10.786 -14.938 1.00 33.04 O ATOM 526 CB LEU B 54 -3.064 -12.483 -12.422 1.00 37.47 C ATOM 527 CG LEU B 54 -2.453 -12.659 -11.051 1.00 37.18 C ATOM 528 CD1 LEU B 54 -1.825 -14.038 -11.041 1.00 37.31 C ATOM 529 CD2 LEU B 54 -1.440 -11.563 -10.703 1.00 36.11 C ATOM 530 H LEU B 54 -5.262 -11.659 -11.351 1.00 0.00 H ATOM 531 N LYS B 55 -5.180 -11.141 -14.562 1.00 39.26 N ATOM 532 CA LYS B 55 -5.562 -10.934 -15.954 1.00 42.59 C ATOM 533 C LYS B 55 -5.960 -9.474 -16.192 1.00 41.73 C ATOM 534 O LYS B 55 -6.931 -9.209 -16.869 1.00 40.67 O ATOM 535 CB LYS B 55 -6.736 -11.849 -16.330 1.00 44.09 C ATOM 536 CG LYS B 55 -6.431 -13.336 -16.314 1.00 45.62 C ATOM 537 CD LYS B 55 -7.638 -14.134 -16.801 1.00 46.98 C ATOM 538 CE LYS B 55 -7.263 -15.584 -17.093 1.00 47.68 C ATOM 539 NZ LYS B 55 -8.312 -16.325 -17.862 1.00 47.70 N ATOM 540 HZ1 LYS B 55 -9.198 -16.334 -17.317 1.00 0.00 H ATOM 541 HZ2 LYS B 55 -8.470 -15.852 -18.775 1.00 0.00 H ATOM 542 HZ3 LYS B 55 -7.995 -17.302 -18.026 1.00 0.00 H ATOM 543 H LYS B 55 -5.907 -11.406 -13.867 1.00 0.00 H ATOM 544 N CYS B 56 -5.223 -8.530 -15.629 1.00 42.75 N ATOM 545 CA CYS B 56 -5.538 -7.115 -15.798 1.00 42.39 C ATOM 546 C CYS B 56 -4.336 -6.428 -16.423 1.00 40.08 C ATOM 547 O CYS B 56 -3.215 -6.694 -16.029 1.00 42.80 O ATOM 548 CB CYS B 56 -5.856 -6.460 -14.444 1.00 44.00 C ATOM 549 SG CYS B 56 -7.584 -6.508 -13.892 1.00 44.48 S ATOM 550 H CYS B 56 -4.401 -8.803 -15.053 1.00 0.00 H ATOM 551 N LYS B 57 -4.571 -5.574 -17.415 1.00 38.70 N ATOM 552 CA LYS B 57 -3.553 -4.665 -17.915 1.00 37.93 C ATOM 553 C LYS B 57 -3.086 -3.763 -16.781 1.00 37.25 C ATOM 554 O LYS B 57 -1.931 -3.354 -16.731 1.00 42.46 O ATOM 555 CB LYS B 57 -4.113 -3.766 -19.022 1.00 41.22 C ATOM 556 CG LYS B 57 -3.672 -4.089 -20.444 1.00 44.21 C ATOM 557 CD LYS B 57 -4.737 -4.854 -21.214 1.00 45.33 C ATOM 558 CE LYS B 57 -4.563 -4.703 -22.714 1.00 45.38 C ATOM 559 NZ LYS B 57 -5.843 -5.056 -23.379 1.00 47.86 N ATOM 560 HZ1 LYS B 57 -6.092 -6.039 -23.149 1.00 0.00 H ATOM 561 HZ2 LYS B 57 -6.594 -4.419 -23.044 1.00 0.00 H ATOM 562 HZ3 LYS B 57 -5.736 -4.956 -24.409 1.00 0.00 H ATOM 563 H LYS B 57 -5.516 -5.556 -17.848 1.00 0.00 H ATOM 564 N ALA B 58 -4.006 -3.417 -15.893 1.00 33.52 N ATOM 565 CA ALA B 58 -3.693 -2.560 -14.782 1.00 31.41 C ATOM 566 C ALA B 58 -4.845 -2.477 -13.780 1.00 31.45 C ATOM 567 O ALA B 58 -5.992 -2.822 -14.063 1.00 27.19 O ATOM 568 CB ALA B 58 -3.324 -1.173 -15.276 1.00 30.72 C ATOM 569 H ALA B 58 -4.977 -3.773 -16.002 1.00 0.00 H ATOM 570 N VAL B 59 -4.489 -1.980 -12.603 1.00 32.62 N ATOM 571 CA VAL B 59 -5.358 -1.933 -11.453 1.00 31.71 C ATOM 572 C VAL B 59 -5.434 -0.505 -10.911 1.00 30.02 C ATOM 573 O VAL B 59 -4.430 0.181 -10.787 1.00 26.95 O ATOM 574 CB VAL B 59 -4.825 -2.923 -10.394 1.00 32.91 C ATOM 575 CG1 VAL B 59 -5.236 -2.543 -8.984 1.00 33.66 C ATOM 576 CG2 VAL B 59 -5.303 -4.327 -10.729 1.00 34.14 C ATOM 577 H VAL B 59 -3.525 -1.602 -12.503 1.00 0.00 H ATOM 578 N SER B 60 -6.649 -0.065 -10.601 1.00 31.10 N ATOM 579 CA SER B 60 -6.854 1.181 -9.871 1.00 30.12 C ATOM 580 C SER B 60 -6.956 0.838 -8.413 1.00 29.26 C ATOM 581 O SER B 60 -7.653 -0.102 -8.060 1.00 30.37 O ATOM 582 CB SER B 60 -8.109 1.908 -10.336 1.00 30.94 C ATOM 583 OG SER B 60 -7.729 3.056 -11.074 1.00 34.63 O ATOM 584 HG SER B 60 -8.540 3.534 -11.380 1.00 0.00 H ATOM 585 H SER B 60 -7.477 -0.625 -10.887 1.00 0.00 H ATOM 586 N ARG B 61 -6.247 1.586 -7.573 1.00 28.28 N ATOM 587 CA ARG B 61 -6.262 1.366 -6.138 1.00 27.50 C ATOM 588 C ARG B 61 -6.696 2.646 -5.394 1.00 28.17 C ATOM 589 O ARG B 61 -6.318 3.750 -5.739 1.00 27.41 O ATOM 590 CB ARG B 61 -4.877 0.895 -5.709 1.00 28.18 C ATOM 591 CG ARG B 61 -4.779 0.483 -4.247 1.00 29.03 C ATOM 592 CD ARG B 61 -3.352 0.193 -3.858 1.00 28.02 C ATOM 593 NE ARG B 61 -2.551 1.405 -3.823 1.00 28.68 N ATOM 594 CZ ARG B 61 -1.217 1.433 -3.790 1.00 30.33 C ATOM 595 NH1 ARG B 61 -0.516 0.312 -3.805 1.00 31.60 N ATOM 596 NH2 ARG B 61 -0.571 2.593 -3.742 1.00 32.29 N ATOM 597 HE ARG B 61 -3.053 2.316 -3.824 1.00 0.00 H ATOM 598 HH12 ARG B 61 0.523 0.348 -3.779 1.00 0.00 H ATOM 599 HH11 ARG B 61 -1.004 -0.606 -3.843 1.00 0.00 H ATOM 600 HH22 ARG B 61 0.469 2.609 -3.716 1.00 0.00 H ATOM 601 HH21 ARG B 61 -1.105 3.485 -3.730 1.00 0.00 H ATOM 602 H ARG B 61 -5.662 2.355 -7.957 1.00 0.00 H ATOM 603 N GLU B 62 -7.521 2.486 -4.380 1.00 32.22 N ATOM 604 CA GLU B 62 -8.052 3.619 -3.607 1.00 34.79 C ATOM 605 C GLU B 62 -7.713 3.364 -2.149 1.00 33.31 C ATOM 606 O GLU B 62 -8.057 2.314 -1.637 1.00 32.63 O ATOM 607 CB GLU B 62 -9.582 3.725 -3.754 1.00 37.07 C ATOM 608 CG GLU B 62 -10.070 4.599 -4.898 1.00 42.02 C ATOM 609 CD GLU B 62 -11.593 4.801 -4.904 1.00 47.53 C ATOM 610 OE1 GLU B 62 -12.353 3.819 -5.163 1.00 47.00 O ATOM 611 OE2 GLU B 62 -12.027 5.964 -4.662 1.00 48.59 O ATOM 612 H GLU B 62 -7.808 1.522 -4.116 1.00 0.00 H ATOM 613 N LEU B 63 -7.041 4.304 -1.488 1.00 33.09 N ATOM 614 CA LEU B 63 -6.793 4.206 -0.036 1.00 32.72 C ATOM 615 C LEU B 63 -7.529 5.341 0.665 1.00 30.30 C ATOM 616 O LEU B 63 -7.432 6.489 0.267 1.00 27.15 O ATOM 617 CB LEU B 63 -5.294 4.276 0.297 1.00 32.77 C ATOM 618 CG LEU B 63 -4.371 3.403 -0.559 1.00 35.28 C ATOM 619 CD1 LEU B 63 -2.911 3.643 -0.209 1.00 35.78 C ATOM 620 CD2 LEU B 63 -4.709 1.922 -0.444 1.00 36.06 C ATOM 621 H LEU B 63 -6.681 5.129 -2.008 1.00 0.00 H ATOM 622 N ASN B 64 -8.289 4.992 1.695 1.00 30.24 N ATOM 623 CA ASN B 64 -8.882 5.969 2.581 1.00 29.50 C ATOM 624 C ASN B 64 -8.117 5.942 3.898 1.00 28.53 C ATOM 625 O ASN B 64 -8.028 4.898 4.564 1.00 28.03 O ATOM 626 CB ASN B 64 -10.346 5.639 2.798 1.00 31.34 C ATOM 627 CG ASN B 64 -11.086 6.738 3.500 1.00 33.22 C ATOM 628 OD1 ASN B 64 -11.503 7.719 2.877 1.00 31.72 O ATOM 629 ND2 ASN B 64 -11.237 6.596 4.819 1.00 34.83 N ATOM 630 HD22 ASN B 64 -10.867 5.750 5.297 1.00 0.00 H ATOM 631 HD21 ASN B 64 -11.725 7.332 5.369 1.00 0.00 H ATOM 632 H ASN B 64 -8.464 3.982 1.871 1.00 0.00 H ATOM 633 N PHE B 65 -7.515 7.066 4.255 1.00 27.92 N ATOM 634 CA PHE B 65 -6.766 7.148 5.523 1.00 28.47 C ATOM 635 C PHE B 65 -7.081 8.435 6.257 1.00 27.78 C ATOM 636 O PHE B 65 -7.549 9.414 5.659 1.00 25.97 O ATOM 637 CB PHE B 65 -5.262 7.074 5.289 1.00 27.67 C ATOM 638 CG PHE B 65 -4.754 8.183 4.431 1.00 27.74 C ATOM 639 CD1 PHE B 65 -4.835 8.089 3.052 1.00 28.37 C ATOM 640 CD2 PHE B 65 -4.246 9.333 5.000 1.00 27.32 C ATOM 641 CE1 PHE B 65 -4.388 9.121 2.250 1.00 28.96 C ATOM 642 CE2 PHE B 65 -3.801 10.370 4.214 1.00 27.93 C ATOM 643 CZ PHE B 65 -3.874 10.269 2.836 1.00 29.21 C ATOM 644 H PHE B 65 -7.571 7.899 3.635 1.00 0.00 H ATOM 645 N SER B 66 -6.810 8.400 7.554 1.00 28.80 N ATOM 646 CA SER B 66 -6.939 9.565 8.428 1.00 30.13 C ATOM 647 C SER B 66 -5.608 9.809 9.118 1.00 31.64 C ATOM 648 O SER B 66 -4.859 8.855 9.408 1.00 33.93 O ATOM 649 CB SER B 66 -8.023 9.333 9.480 1.00 28.99 C ATOM 650 OG SER B 66 -9.300 9.257 8.888 1.00 28.63 O ATOM 651 HG SER B 66 -9.494 10.105 8.415 1.00 0.00 H ATOM 652 H SER B 66 -6.491 7.502 7.969 1.00 0.00 H ATOM 653 N SER B 67 -5.305 11.079 9.365 1.00 32.00 N ATOM 654 CA SER B 67 -4.112 11.450 10.128 1.00 33.06 C ATOM 655 C SER B 67 -4.428 12.626 11.019 1.00 33.02 C ATOM 656 O SER B 67 -5.003 13.626 10.563 1.00 32.85 O ATOM 657 CB SER B 67 -2.942 11.829 9.213 1.00 33.24 C ATOM 658 OG SER B 67 -1.776 12.126 9.987 1.00 35.37 O ATOM 659 HG SER B 67 -1.969 12.884 10.594 1.00 0.00 H ATOM 660 H SER B 67 -5.931 11.828 9.007 1.00 0.00 H ATOM 661 N THR B 68 -4.052 12.516 12.286 1.00 32.95 N ATOM 662 CA THR B 68 -4.189 13.652 13.171 1.00 34.39 C ATOM 663 C THR B 68 -3.062 14.619 12.822 1.00 33.86 C ATOM 664 O THR B 68 -3.284 15.814 12.688 1.00 35.00 O ATOM 665 CB THR B 68 -4.172 13.248 14.656 1.00 34.50 C ATOM 666 OG1 THR B 68 -2.965 12.556 14.948 1.00 35.88 O ATOM 667 CG2 THR B 68 -5.331 12.344 14.969 1.00 34.33 C ATOM 668 HG1 THR B 68 -2.957 12.298 15.904 1.00 0.00 H ATOM 669 H THR B 68 -3.662 11.620 12.641 1.00 0.00 H ATOM 670 N GLU B 69 -1.866 14.093 12.612 1.00 34.27 N ATOM 671 CA GLU B 69 -0.714 14.937 12.317 1.00 35.13 C ATOM 672 C GLU B 69 -0.724 15.541 10.922 1.00 35.37 C ATOM 673 O GLU B 69 -1.127 14.908 9.958 1.00 39.88 O ATOM 674 CB GLU B 69 0.584 14.156 12.539 1.00 36.27 C ATOM 675 CG GLU B 69 0.776 13.701 13.981 1.00 38.47 C ATOM 676 CD GLU B 69 0.587 14.839 14.985 1.00 42.49 C ATOM 677 OE1 GLU B 69 1.094 15.971 14.724 1.00 43.11 O ATOM 678 OE2 GLU B 69 -0.079 14.610 16.027 1.00 43.96 O ATOM 679 H GLU B 69 -1.746 13.061 12.658 1.00 0.00 H ATOM 680 N GLN B 70 -0.280 16.787 10.826 1.00 35.72 N ATOM 681 CA GLN B 70 0.050 17.396 9.542 1.00 34.53 C ATOM 682 C GLN B 70 1.255 16.668 8.947 1.00 34.41 C ATOM 683 O GLN B 70 2.209 16.348 9.668 1.00 31.95 O ATOM 684 CB GLN B 70 0.387 18.875 9.724 1.00 33.26 C ATOM 685 CG GLN B 70 0.586 19.656 8.438 1.00 34.64 C ATOM 686 CD GLN B 70 0.606 21.172 8.653 1.00 33.81 C ATOM 687 OE1 GLN B 70 -0.432 21.830 8.782 1.00 33.05 O ATOM 688 NE2 GLN B 70 1.791 21.728 8.658 1.00 33.75 N ATOM 689 HE22 GLN B 70 2.642 21.140 8.547 1.00 0.00 H ATOM 690 HE21 GLN B 70 1.882 22.758 8.773 1.00 0.00 H ATOM 691 H GLN B 70 -0.163 17.348 11.694 1.00 0.00 H ATOM 692 N MET B 71 1.180 16.381 7.648 1.00 33.94 N ATOM 693 CA MET B 71 2.303 15.877 6.884 1.00 34.92 C ATOM 694 C MET B 71 2.553 16.794 5.713 1.00 32.93 C ATOM 695 O MET B 71 1.614 17.209 5.039 1.00 31.66 O ATOM 696 CB MET B 71 2.025 14.466 6.352 1.00 38.74 C ATOM 697 CG MET B 71 2.495 13.356 7.268 1.00 40.20 C ATOM 698 SD MET B 71 2.416 11.732 6.484 1.00 42.87 S ATOM 699 CE MET B 71 0.709 11.293 6.827 1.00 42.20 C ATOM 700 H MET B 71 0.273 16.526 7.160 1.00 0.00 H ATOM 701 N GLU B 72 3.824 17.075 5.454 1.00 33.29 N ATOM 702 CA GLU B 72 4.197 17.985 4.378 1.00 34.35 C ATOM 703 C GLU B 72 4.067 17.306 3.008 1.00 35.16 C ATOM 704 O GLU B 72 3.353 17.806 2.139 1.00 34.76 O ATOM 705 CB GLU B 72 5.610 18.547 4.594 1.00 34.74 C ATOM 706 CG GLU B 72 5.830 19.226 5.947 1.00 35.94 C ATOM 707 CD GLU B 72 4.862 20.378 6.223 1.00 38.85 C ATOM 708 OE1 GLU B 72 4.646 21.231 5.321 1.00 36.98 O ATOM 709 OE2 GLU B 72 4.308 20.426 7.353 1.00 39.27 O ATOM 710 H GLU B 72 4.570 16.637 6.031 1.00 0.00 H ATOM 711 N LYS B 73 4.725 16.160 2.830 1.00 35.18 N ATOM 712 CA LYS B 73 4.774 15.472 1.525 1.00 35.52 C ATOM 713 C LYS B 73 4.621 13.971 1.757 1.00 33.82 C ATOM 714 O LYS B 73 5.583 13.201 1.764 1.00 32.14 O ATOM 715 CB LYS B 73 6.089 15.801 0.801 1.00 37.43 C ATOM 716 CG LYS B 73 6.281 15.212 -0.596 1.00 39.10 C ATOM 717 CD LYS B 73 7.726 15.456 -1.036 1.00 41.49 C ATOM 718 CE LYS B 73 8.029 14.897 -2.416 1.00 43.26 C ATOM 719 NZ LYS B 73 8.719 15.930 -3.245 1.00 44.31 N ATOM 720 HZ1 LYS B 73 8.104 16.764 -3.340 1.00 0.00 H ATOM 721 HZ2 LYS B 73 9.609 16.205 -2.783 1.00 0.00 H ATOM 722 HZ3 LYS B 73 8.922 15.538 -4.187 1.00 0.00 H ATOM 723 H LYS B 73 5.221 15.736 3.639 1.00 0.00 H ATOM 724 N PHE B 74 3.388 13.568 1.990 1.00 32.50 N ATOM 725 CA PHE B 74 3.115 12.195 2.326 1.00 31.27 C ATOM 726 C PHE B 74 3.256 11.321 1.096 1.00 30.72 C ATOM 727 O PHE B 74 2.696 11.630 0.048 1.00 32.25 O ATOM 728 CB PHE B 74 1.715 12.097 2.876 1.00 31.50 C ATOM 729 CG PHE B 74 1.229 10.704 3.016 1.00 33.33 C ATOM 730 CD1 PHE B 74 2.016 9.741 3.646 1.00 33.59 C ATOM 731 CD2 PHE B 74 -0.020 10.345 2.528 1.00 34.08 C ATOM 732 CE1 PHE B 74 1.564 8.446 3.786 1.00 33.90 C ATOM 733 CE2 PHE B 74 -0.479 9.052 2.665 1.00 34.80 C ATOM 734 CZ PHE B 74 0.313 8.101 3.296 1.00 34.79 C ATOM 735 H PHE B 74 2.604 14.249 1.931 1.00 0.00 H ATOM 736 N ARG B 75 3.990 10.223 1.217 1.00 29.19 N ATOM 737 CA ARG B 75 4.211 9.368 0.079 1.00 28.52 C ATOM 738 C ARG B 75 4.547 7.947 0.452 1.00 28.12 C ATOM 739 O ARG B 75 4.786 7.640 1.615 1.00 25.79 O ATOM 740 CB ARG B 75 5.328 9.947 -0.770 1.00 29.95 C ATOM 741 CG ARG B 75 6.683 9.885 -0.115 1.00 30.48 C ATOM 742 CD ARG B 75 7.797 10.511 -0.951 1.00 30.60 C ATOM 743 NE ARG B 75 9.041 10.410 -0.172 1.00 31.18 N ATOM 744 CZ ARG B 75 9.919 9.416 -0.251 1.00 30.02 C ATOM 745 NH1 ARG B 75 9.748 8.414 -1.117 1.00 31.05 N ATOM 746 NH2 ARG B 75 10.977 9.425 0.548 1.00 29.33 N ATOM 747 HE ARG B 75 9.250 11.180 0.495 1.00 0.00 H ATOM 748 HH12 ARG B 75 10.445 7.644 -1.165 1.00 0.00 H ATOM 749 HH11 ARG B 75 8.918 8.404 -1.743 1.00 0.00 H ATOM 750 HH22 ARG B 75 11.673 8.654 0.498 1.00 0.00 H ATOM 751 HH21 ARG B 75 11.111 10.203 1.225 1.00 0.00 H ATOM 752 H ARG B 75 4.408 9.978 2.137 1.00 0.00 H ATOM 753 N LEU B 76 4.562 7.086 -0.565 1.00 29.46 N ATOM 754 CA LEU B 76 4.787 5.645 -0.382 1.00 29.34 C ATOM 755 C LEU B 76 5.857 5.138 -1.326 1.00 28.94 C ATOM 756 O LEU B 76 5.852 5.454 -2.506 1.00 29.58 O ATOM 757 CB LEU B 76 3.519 4.853 -0.690 1.00 28.66 C ATOM 758 CG LEU B 76 2.267 5.026 0.171 1.00 29.51 C ATOM 759 CD1 LEU B 76 1.181 4.067 -0.285 1.00 29.18 C ATOM 760 CD2 LEU B 76 2.532 4.827 1.650 1.00 29.96 C ATOM 761 H LEU B 76 4.408 7.448 -1.528 1.00 0.00 H ATOM 762 N GLU B 77 6.759 4.337 -0.797 1.00 28.40 N ATOM 763 CA GLU B 77 7.613 3.506 -1.614 1.00 29.51 C ATOM 764 C GLU B 77 7.149 2.110 -1.347 1.00 27.03 C ATOM 765 O GLU B 77 6.982 1.722 -0.203 1.00 25.41 O ATOM 766 CB GLU B 77 9.095 3.649 -1.229 1.00 33.02 C ATOM 767 CG GLU B 77 9.619 5.080 -1.303 1.00 36.10 C ATOM 768 CD GLU B 77 11.140 5.186 -1.179 1.00 40.81 C ATOM 769 OE1 GLU B 77 11.793 4.210 -0.711 1.00 39.72 O ATOM 770 OE2 GLU B 77 11.680 6.264 -1.562 1.00 41.88 O ATOM 771 H GLU B 77 6.859 4.302 0.238 1.00 0.00 H ATOM 772 N GLN B 78 6.905 1.364 -2.407 1.00 28.26 N ATOM 773 CA GLN B 78 6.550 -0.043 -2.286 1.00 28.61 C ATOM 774 C GLN B 78 7.481 -0.904 -3.123 1.00 28.94 C ATOM 775 O GLN B 78 7.818 -0.554 -4.245 1.00 31.15 O ATOM 776 CB GLN B 78 5.112 -0.266 -2.725 1.00 27.48 C ATOM 777 CG GLN B 78 4.085 0.326 -1.778 1.00 27.20 C ATOM 778 CD GLN B 78 2.681 -0.067 -2.180 1.00 27.91 C ATOM 779 OE1 GLN B 78 2.359 -0.132 -3.367 1.00 29.03 O ATOM 780 NE2 GLN B 78 1.851 -0.377 -1.203 1.00 28.37 N ATOM 781 HE22 GLN B 78 2.164 -0.308 -0.214 1.00 0.00 H ATOM 782 HE21 GLN B 78 0.884 -0.690 -1.422 1.00 0.00 H ATOM 783 H GLN B 78 6.968 1.791 -3.353 1.00 0.00 H ATOM 784 N LYS B 79 7.906 -2.018 -2.554 1.00 29.52 N ATOM 785 CA LYS B 79 8.612 -3.053 -3.299 1.00 30.43 C ATOM 786 C LYS B 79 7.882 -4.381 -3.108 1.00 30.52 C ATOM 787 O LYS B 79 7.476 -4.728 -1.987 1.00 31.38 O ATOM 788 CB LYS B 79 10.054 -3.201 -2.810 1.00 30.88 C ATOM 789 CG LYS B 79 10.926 -2.019 -3.151 1.00 30.53 C ATOM 790 CD LYS B 79 12.319 -2.158 -2.575 1.00 29.88 C ATOM 791 CE LYS B 79 12.932 -0.795 -2.293 1.00 29.57 C ATOM 792 NZ LYS B 79 12.800 0.113 -3.470 1.00 30.28 N ATOM 793 HZ1 LYS B 79 13.288 -0.307 -4.287 1.00 0.00 H ATOM 794 HZ2 LYS B 79 11.793 0.243 -3.695 1.00 0.00 H ATOM 795 HZ3 LYS B 79 13.228 1.034 -3.245 1.00 0.00 H ATOM 796 H LYS B 79 7.731 -2.162 -1.539 1.00 0.00 H ATOM 797 N VAL B 80 7.745 -5.116 -4.201 1.00 28.69 N ATOM 798 CA VAL B 80 7.079 -6.380 -4.187 1.00 29.20 C ATOM 799 C VAL B 80 8.105 -7.496 -4.311 1.00 29.93 C ATOM 800 O VAL B 80 8.934 -7.486 -5.220 1.00 29.26 O ATOM 801 CB VAL B 80 6.101 -6.452 -5.353 1.00 31.43 C ATOM 802 CG1 VAL B 80 5.421 -7.817 -5.412 1.00 32.00 C ATOM 803 CG2 VAL B 80 5.082 -5.320 -5.238 1.00 32.58 C ATOM 804 H VAL B 80 8.135 -4.762 -5.098 1.00 0.00 H ATOM 805 N TYR B 81 8.020 -8.465 -3.400 1.00 31.12 N ATOM 806 CA TYR B 81 8.984 -9.556 -3.313 1.00 32.08 C ATOM 807 C TYR B 81 8.358 -10.908 -3.614 1.00 33.70 C ATOM 808 O TYR B 81 7.284 -11.217 -3.110 1.00 31.98 O ATOM 809 CB TYR B 81 9.606 -9.607 -1.917 1.00 30.88 C ATOM 810 CG TYR B 81 10.442 -8.397 -1.600 1.00 30.05 C ATOM 811 CD1 TYR B 81 11.730 -8.255 -2.129 1.00 28.51 C ATOM 812 CD2 TYR B 81 9.943 -7.384 -0.785 1.00 28.77 C ATOM 813 CE1 TYR B 81 12.495 -7.149 -1.836 1.00 27.25 C ATOM 814 CE2 TYR B 81 10.701 -6.277 -0.493 1.00 27.77 C ATOM 815 CZ TYR B 81 11.972 -6.168 -1.020 1.00 27.36 C ATOM 816 OH TYR B 81 12.704 -5.052 -0.734 1.00 27.33 O ATOM 817 HH TYR B 81 13.587 -5.115 -1.178 1.00 0.00 H ATOM 818 H TYR B 81 7.232 -8.442 -2.722 1.00 0.00 H ATOM 819 N PHE B 82 9.055 -11.705 -4.425 1.00 35.21 N ATOM 820 CA PHE B 82 8.708 -13.104 -4.653 1.00 37.15 C ATOM 821 C PHE B 82 9.867 -13.992 -4.172 1.00 36.83 C ATOM 822 O PHE B 82 10.947 -13.942 -4.752 1.00 36.67 O ATOM 823 CB PHE B 82 8.421 -13.310 -6.141 1.00 37.76 C ATOM 824 CG PHE B 82 8.402 -14.753 -6.571 1.00 39.17 C ATOM 825 CD1 PHE B 82 7.377 -15.598 -6.175 1.00 39.16 C ATOM 826 CD2 PHE B 82 9.413 -15.261 -7.395 1.00 40.80 C ATOM 827 CE1 PHE B 82 7.362 -16.928 -6.581 1.00 41.36 C ATOM 828 CE2 PHE B 82 9.404 -16.588 -7.805 1.00 41.25 C ATOM 829 CZ PHE B 82 8.378 -17.428 -7.394 1.00 41.23 C ATOM 830 H PHE B 82 9.883 -11.312 -4.917 1.00 0.00 H ATOM 831 N LYS B 83 9.645 -14.792 -3.123 1.00 37.92 N ATOM 832 CA LYS B 83 10.727 -15.545 -2.474 1.00 39.60 C ATOM 833 C LYS B 83 11.971 -14.669 -2.241 1.00 41.49 C ATOM 834 O LYS B 83 13.075 -15.035 -2.679 1.00 42.03 O ATOM 835 CB LYS B 83 11.166 -16.727 -3.337 1.00 41.91 C ATOM 836 CG LYS B 83 10.076 -17.678 -3.749 1.00 43.10 C ATOM 837 CD LYS B 83 10.685 -19.015 -4.140 1.00 44.97 C ATOM 838 CE LYS B 83 9.708 -19.856 -4.942 1.00 46.97 C ATOM 839 NZ LYS B 83 8.356 -19.782 -4.335 1.00 47.69 N ATOM 840 HZ1 LYS B 83 8.395 -20.140 -3.359 1.00 0.00 H ATOM 841 HZ2 LYS B 83 8.033 -18.793 -4.330 1.00 0.00 H ATOM 842 HZ3 LYS B 83 7.695 -20.361 -4.892 1.00 0.00 H ATOM 843 H LYS B 83 8.676 -14.884 -2.755 1.00 0.00 H ATOM 844 N GLY B 84 11.784 -13.503 -1.611 1.00 41.88 N ATOM 845 CA GLY B 84 12.875 -12.558 -1.308 1.00 38.56 C ATOM 846 C GLY B 84 13.502 -11.850 -2.501 1.00 38.39 C ATOM 847 O GLY B 84 14.411 -11.051 -2.335 1.00 39.00 O ATOM 848 H GLY B 84 10.818 -13.250 -1.320 1.00 0.00 H ATOM 849 N GLN B 85 13.011 -12.116 -3.702 1.00 38.37 N ATOM 850 CA GLN B 85 13.494 -11.459 -4.903 1.00 40.59 C ATOM 851 C GLN B 85 12.551 -10.310 -5.259 1.00 40.37 C ATOM 852 O GLN B 85 11.334 -10.488 -5.309 1.00 38.71 O ATOM 853 CB GLN B 85 13.511 -12.476 -6.030 1.00 45.31 C ATOM 854 CG GLN B 85 14.240 -12.022 -7.277 1.00 51.70 C ATOM 855 CD GLN B 85 13.903 -12.888 -8.484 1.00 52.84 C ATOM 856 OE1 GLN B 85 13.627 -14.088 -8.359 1.00 52.62 O ATOM 857 NE2 GLN B 85 13.908 -12.275 -9.659 1.00 50.97 N ATOM 858 HE22 GLN B 85 14.146 -11.264 -9.717 1.00 0.00 H ATOM 859 HE21 GLN B 85 13.674 -12.805 -10.523 1.00 0.00 H ATOM 860 H GLN B 85 12.252 -12.821 -3.788 1.00 0.00 H ATOM 861 N CYS B 86 13.110 -9.134 -5.526 1.00 40.67 N ATOM 862 CA CYS B 86 12.299 -7.942 -5.795 1.00 38.34 C ATOM 863 C CYS B 86 11.801 -7.882 -7.229 1.00 36.93 C ATOM 864 O CYS B 86 12.584 -7.699 -8.145 1.00 37.85 O ATOM 865 CB CYS B 86 13.096 -6.677 -5.502 1.00 39.23 C ATOM 866 SG CYS B 86 12.110 -5.170 -5.652 1.00 40.62 S ATOM 867 H CYS B 86 14.147 -9.057 -5.545 1.00 0.00 H ATOM 868 N LEU B 87 10.491 -8.015 -7.416 1.00 37.74 N ATOM 869 CA LEU B 87 9.866 -7.960 -8.754 1.00 35.98 C ATOM 870 C LEU B 87 9.461 -6.566 -9.221 1.00 35.53 C ATOM 871 O LEU B 87 9.367 -6.322 -10.415 1.00 32.41 O ATOM 872 CB LEU B 87 8.592 -8.795 -8.773 1.00 36.10 C ATOM 873 CG LEU B 87 8.720 -10.288 -8.537 1.00 37.14 C ATOM 874 CD1 LEU B 87 7.351 -10.948 -8.634 1.00 36.71 C ATOM 875 CD2 LEU B 87 9.705 -10.877 -9.534 1.00 37.85 C ATOM 876 H LEU B 87 9.881 -8.164 -6.587 1.00 0.00 H ATOM 877 N GLU B 88 9.146 -5.681 -8.277 1.00 36.35 N ATOM 878 CA GLU B 88 8.579 -4.390 -8.606 1.00 36.08 C ATOM 879 C GLU B 88 9.022 -3.424 -7.578 1.00 34.25 C ATOM 880 O GLU B 88 9.292 -3.803 -6.444 1.00 34.65 O ATOM 881 CB GLU B 88 7.048 -4.428 -8.550 1.00 38.54 C ATOM 882 CG GLU B 88 6.358 -5.314 -9.586 1.00 40.78 C ATOM 883 CD GLU B 88 6.245 -4.690 -10.967 1.00 40.94 C ATOM 884 OE1 GLU B 88 6.512 -3.471 -11.137 1.00 41.35 O ATOM 885 OE2 GLU B 88 5.874 -5.446 -11.888 1.00 41.46 O ATOM 886 H GLU B 88 9.311 -5.923 -7.279 1.00 0.00 H ATOM 887 N GLU B 89 9.003 -2.159 -7.967 1.00 34.81 N ATOM 888 CA GLU B 89 9.526 -1.081 -7.162 1.00 33.34 C ATOM 889 C GLU B 89 8.676 0.120 -7.484 1.00 29.73 C ATOM 890 O GLU B 89 8.890 0.759 -8.502 1.00 28.39 O ATOM 891 CB GLU B 89 10.954 -0.839 -7.597 1.00 37.45 C ATOM 892 CG GLU B 89 11.949 -0.584 -6.502 1.00 40.73 C ATOM 893 CD GLU B 89 13.243 -0.013 -7.055 1.00 44.59 C ATOM 894 OE1 GLU B 89 13.536 -0.232 -8.251 1.00 44.81 O ATOM 895 OE2 GLU B 89 13.970 0.668 -6.299 1.00 49.68 O ATOM 896 H GLU B 89 8.593 -1.931 -8.895 1.00 0.00 H ATOM 897 N TRP B 90 7.697 0.405 -6.631 1.00 29.22 N ATOM 898 CA TRP B 90 6.677 1.414 -6.912 1.00 29.02 C ATOM 899 C TRP B 90 6.703 2.592 -5.975 1.00 28.81 C ATOM 900 O TRP B 90 6.823 2.407 -4.771 1.00 28.53 O ATOM 901 CB TRP B 90 5.304 0.796 -6.772 1.00 29.97 C ATOM 902 CG TRP B 90 5.024 -0.324 -7.711 1.00 30.73 C ATOM 903 CD1 TRP B 90 5.584 -0.534 -8.933 1.00 31.48 C ATOM 904 CD2 TRP B 90 4.062 -1.359 -7.524 1.00 30.72 C ATOM 905 NE1 TRP B 90 5.041 -1.649 -9.515 1.00 32.14 N ATOM 906 CE2 TRP B 90 4.104 -2.177 -8.666 1.00 32.60 C ATOM 907 CE3 TRP B 90 3.177 -1.681 -6.494 1.00 30.63 C ATOM 908 CZ2 TRP B 90 3.297 -3.305 -8.805 1.00 32.86 C ATOM 909 CZ3 TRP B 90 2.385 -2.792 -6.629 1.00 32.48 C ATOM 910 CH2 TRP B 90 2.445 -3.595 -7.777 1.00 32.51 C ATOM 911 HE1 TRP B 90 5.298 -2.032 -10.447 1.00 0.00 H ATOM 912 H TRP B 90 7.655 -0.110 -5.728 1.00 0.00 H ATOM 913 N PHE B 91 6.500 3.786 -6.537 1.00 28.82 N ATOM 914 CA PHE B 91 6.456 5.062 -5.790 1.00 27.35 C ATOM 915 C PHE B 91 5.136 5.783 -5.987 1.00 26.82 C ATOM 916 O PHE B 91 4.573 5.723 -7.068 1.00 28.32 O ATOM 917 CB PHE B 91 7.590 5.963 -6.268 1.00 26.65 C ATOM 918 CG PHE B 91 8.920 5.306 -6.187 1.00 27.68 C ATOM 919 CD1 PHE B 91 9.680 5.400 -5.027 1.00 27.62 C ATOM 920 CD2 PHE B 91 9.390 4.522 -7.243 1.00 28.13 C ATOM 921 CE1 PHE B 91 10.907 4.763 -4.931 1.00 27.11 C ATOM 922 CE2 PHE B 91 10.613 3.878 -7.156 1.00 27.78 C ATOM 923 CZ PHE B 91 11.375 4.009 -6.002 1.00 27.63 C ATOM 924 H PHE B 91 6.364 3.821 -7.567 1.00 0.00 H ATOM 925 N PHE B 92 4.638 6.452 -4.947 1.00 26.94 N ATOM 926 CA PHE B 92 3.414 7.251 -5.045 1.00 27.94 C ATOM 927 C PHE B 92 3.492 8.422 -4.100 1.00 30.91 C ATOM 928 O PHE B 92 3.747 8.194 -2.909 1.00 31.68 O ATOM 929 CB PHE B 92 2.192 6.428 -4.645 1.00 28.29 C ATOM 930 CG PHE B 92 2.081 5.097 -5.333 1.00 28.86 C ATOM 931 CD1 PHE B 92 1.441 4.989 -6.559 1.00 28.58 C ATOM 932 CD2 PHE B 92 2.586 3.939 -4.734 1.00 29.31 C ATOM 933 CE1 PHE B 92 1.325 3.755 -7.180 1.00 29.95 C ATOM 934 CE2 PHE B 92 2.471 2.702 -5.352 1.00 29.03 C ATOM 935 CZ PHE B 92 1.840 2.611 -6.579 1.00 30.17 C ATOM 936 H PHE B 92 5.135 6.405 -4.035 1.00 0.00 H ATOM 937 N GLU B 93 3.286 9.653 -4.597 1.00 34.35 N ATOM 938 CA GLU B 93 3.168 10.835 -3.709 1.00 38.40 C ATOM 939 C GLU B 93 1.687 11.195 -3.558 1.00 35.97 C ATOM 940 O GLU B 93 0.956 11.215 -4.528 1.00 33.44 O ATOM 941 CB GLU B 93 3.886 12.114 -4.211 1.00 43.83 C ATOM 942 CG GLU B 93 5.059 11.997 -5.195 1.00 51.65 C ATOM 943 CD GLU B 93 5.548 13.372 -5.734 1.00 56.41 C ATOM 944 OE1 GLU B 93 4.784 14.366 -5.710 1.00 56.11 O ATOM 945 OE2 GLU B 93 6.712 13.473 -6.191 1.00 60.12 O ATOM 946 H GLU B 93 3.208 9.780 -5.626 1.00 0.00 H ATOM 947 N PHE B 94 1.244 11.513 -2.355 1.00 32.99 N ATOM 948 CA PHE B 94 -0.068 12.122 -2.202 1.00 33.02 C ATOM 949 C PHE B 94 0.100 13.631 -2.024 1.00 32.40 C ATOM 950 O PHE B 94 -0.616 14.426 -2.637 1.00 31.82 O ATOM 951 CB PHE B 94 -0.781 11.504 -1.011 1.00 33.07 C ATOM 952 CG PHE B 94 -2.059 12.187 -0.637 1.00 32.73 C ATOM 953 CD1 PHE B 94 -2.052 13.248 0.278 1.00 33.18 C ATOM 954 CD2 PHE B 94 -3.275 11.744 -1.146 1.00 31.74 C ATOM 955 CE1 PHE B 94 -3.238 13.876 0.651 1.00 31.77 C ATOM 956 CE2 PHE B 94 -4.457 12.363 -0.777 1.00 31.64 C ATOM 957 CZ PHE B 94 -4.435 13.436 0.122 1.00 31.60 C ATOM 958 H PHE B 94 1.833 11.328 -1.518 1.00 0.00 H ATOM 959 N GLY B 95 1.040 14.011 -1.169 1.00 29.08 N ATOM 960 CA GLY B 95 1.312 15.400 -0.914 1.00 27.73 C ATOM 961 C GLY B 95 1.034 15.814 0.521 1.00 28.29 C ATOM 962 O GLY B 95 1.187 15.038 1.479 1.00 27.21 O ATOM 963 H GLY B 95 1.594 13.286 -0.670 1.00 0.00 H ATOM 964 N PHE B 96 0.683 17.086 0.653 1.00 27.95 N ATOM 965 CA PHE B 96 0.328 17.700 1.914 1.00 27.80 C ATOM 966 C PHE B 96 -0.923 17.037 2.491 1.00 27.77 C ATOM 967 O PHE B 96 -1.897 16.823 1.762 1.00 25.34 O ATOM 968 CB PHE B 96 0.050 19.200 1.689 1.00 27.74 C ATOM 969 CG PHE B 96 -0.144 19.960 2.953 1.00 27.64 C ATOM 970 CD1 PHE B 96 0.947 20.419 3.657 1.00 26.62 C ATOM 971 CD2 PHE B 96 -1.415 20.166 3.459 1.00 27.20 C ATOM 972 CE1 PHE B 96 0.777 21.085 4.841 1.00 28.82 C ATOM 973 CE2 PHE B 96 -1.593 20.839 4.641 1.00 28.11 C ATOM 974 CZ PHE B 96 -0.494 21.301 5.341 1.00 28.29 C ATOM 975 H PHE B 96 0.662 17.678 -0.202 1.00 0.00 H ATOM 976 N VAL B 97 -0.891 16.735 3.792 1.00 27.65 N ATOM 977 CA VAL B 97 -2.060 16.211 4.488 1.00 29.12 C ATOM 978 C VAL B 97 -2.470 17.147 5.635 1.00 30.49 C ATOM 979 O VAL B 97 -1.661 17.479 6.515 1.00 29.55 O ATOM 980 CB VAL B 97 -1.822 14.779 5.051 1.00 29.96 C ATOM 981 CG1 VAL B 97 -3.119 14.189 5.608 1.00 28.80 C ATOM 982 CG2 VAL B 97 -1.227 13.852 3.984 1.00 30.45 C ATOM 983 H VAL B 97 -0.008 16.878 4.323 1.00 0.00 H ATOM 984 N ILE B 98 -3.748 17.532 5.631 1.00 31.92 N ATOM 985 CA ILE B 98 -4.313 18.444 6.631 1.00 31.79 C ATOM 986 C ILE B 98 -4.465 17.670 7.938 1.00 32.58 C ATOM 987 O ILE B 98 -4.870 16.504 7.916 1.00 33.67 O ATOM 988 CB ILE B 98 -5.670 19.003 6.139 1.00 30.35 C ATOM 989 CG1 ILE B 98 -5.456 19.785 4.843 1.00 29.17 C ATOM 990 CG2 ILE B 98 -6.342 19.870 7.189 1.00 29.62 C ATOM 991 CD1 ILE B 98 -6.687 20.504 4.342 1.00 29.16 C ATOM 992 H ILE B 98 -4.373 17.168 4.883 1.00 0.00 H ATOM 993 N PRO B 99 -4.134 18.307 9.083 1.00 34.25 N ATOM 994 CA PRO B 99 -4.224 17.570 10.352 1.00 33.34 C ATOM 995 C PRO B 99 -5.666 17.217 10.693 1.00 35.00 C ATOM 996 O PRO B 99 -6.552 18.052 10.543 1.00 33.31 O ATOM 997 CB PRO B 99 -3.620 18.537 11.375 1.00 32.64 C ATOM 998 CG PRO B 99 -3.738 19.897 10.765 1.00 33.51 C ATOM 999 CD PRO B 99 -3.639 19.690 9.275 1.00 34.47 C ATOM 1000 N ASN B 100 -5.890 15.971 11.115 1.00 38.05 N ATOM 1001 CA ASN B 100 -7.236 15.451 11.434 1.00 40.61 C ATOM 1002 C ASN B 100 -8.126 15.322 10.207 1.00 41.31 C ATOM 1003 O ASN B 100 -9.349 15.413 10.312 1.00 43.21 O ATOM 1004 CB ASN B 100 -7.943 16.306 12.490 1.00 40.55 C ATOM 1005 CG ASN B 100 -7.102 16.490 13.727 1.00 42.70 C ATOM 1006 OD1 ASN B 100 -6.609 17.592 14.000 1.00 42.64 O ATOM 1007 ND2 ASN B 100 -6.892 15.401 14.465 1.00 41.97 N ATOM 1008 HD22 ASN B 100 -7.329 14.497 14.194 1.00 0.00 H ATOM 1009 HD21 ASN B 100 -6.291 15.455 15.312 1.00 0.00 H ATOM 1010 H ASN B 100 -5.076 15.333 11.225 1.00 0.00 H ATOM 1011 N SER B 101 -7.517 15.110 9.047 1.00 38.93 N ATOM 1012 CA SER B 101 -8.280 14.903 7.849 1.00 37.34 C ATOM 1013 C SER B 101 -8.416 13.417 7.585 1.00 37.86 C ATOM 1014 O SER B 101 -7.644 12.603 8.098 1.00 36.25 O ATOM 1015 CB SER B 101 -7.608 15.582 6.667 1.00 38.56 C ATOM 1016 OG SER B 101 -6.272 15.130 6.485 1.00 40.24 O ATOM 1017 HG SER B 101 -5.744 15.329 7.299 1.00 0.00 H ATOM 1018 H SER B 101 -6.478 15.094 9.006 1.00 0.00 H ATOM 1019 N THR B 102 -9.429 13.090 6.787 1.00 39.03 N ATOM 1020 CA THR B 102 -9.581 11.792 6.160 1.00 37.39 C ATOM 1021 C THR B 102 -9.524 12.019 4.662 1.00 36.53 C ATOM 1022 O THR B 102 -9.987 13.032 4.169 1.00 36.79 O ATOM 1023 CB THR B 102 -10.894 11.123 6.560 1.00 37.74 C ATOM 1024 OG1 THR B 102 -10.975 11.126 7.982 1.00 40.19 O ATOM 1025 CG2 THR B 102 -10.934 9.670 6.085 1.00 39.01 C ATOM 1026 HG1 THR B 102 -10.208 10.625 8.356 1.00 0.00 H ATOM 1027 H THR B 102 -10.156 13.810 6.602 1.00 0.00 H ATOM 1028 N ASN B 103 -8.897 11.096 3.941 1.00 36.83 N ATOM 1029 CA ASN B 103 -8.598 11.316 2.532 1.00 33.82 C ATOM 1030 C ASN B 103 -8.710 10.028 1.785 1.00 31.46 C ATOM 1031 O ASN B 103 -8.393 8.962 2.298 1.00 29.02 O ATOM 1032 CB ASN B 103 -7.180 11.851 2.331 1.00 33.71 C ATOM 1033 CG ASN B 103 -6.884 13.065 3.180 1.00 34.99 C ATOM 1034 OD1 ASN B 103 -7.000 14.197 2.722 1.00 32.49 O ATOM 1035 ND2 ASN B 103 -6.502 12.835 4.433 1.00 37.40 N ATOM 1036 HD22 ASN B 103 -6.417 11.858 4.780 1.00 0.00 H ATOM 1037 HD21 ASN B 103 -6.288 13.632 5.066 1.00 0.00 H ATOM 1038 H ASN B 103 -8.615 10.201 4.390 1.00 0.00 H ATOM 1039 N THR B 104 -9.183 10.155 0.565 1.00 30.74 N ATOM 1040 CA THR B 104 -9.189 9.077 -0.379 1.00 30.80 C ATOM 1041 C THR B 104 -8.077 9.428 -1.344 1.00 28.57 C ATOM 1042 O THR B 104 -7.808 10.602 -1.557 1.00 31.78 O ATOM 1043 CB THR B 104 -10.562 8.961 -1.064 1.00 31.07 C ATOM 1044 OG1 THR B 104 -11.452 8.216 -0.208 1.00 31.16 O ATOM 1045 CG2 THR B 104 -10.442 8.271 -2.410 1.00 31.26 C ATOM 1046 HG1 THR B 104 -11.548 8.688 0.657 1.00 0.00 H ATOM 1047 H THR B 104 -9.569 11.076 0.273 1.00 0.00 H ATOM 1048 N TRP B 105 -7.418 8.412 -1.881 1.00 26.04 N ATOM 1049 CA TRP B 105 -6.266 8.573 -2.751 1.00 24.97 C ATOM 1050 C TRP B 105 -6.294 7.479 -3.787 1.00 25.79 C ATOM 1051 O TRP B 105 -6.239 6.305 -3.434 1.00 26.35 O ATOM 1052 CB TRP B 105 -4.993 8.429 -1.935 1.00 24.66 C ATOM 1053 CG TRP B 105 -3.685 8.552 -2.687 1.00 23.75 C ATOM 1054 CD1 TRP B 105 -3.506 9.001 -3.940 1.00 23.32 C ATOM 1055 CD2 TRP B 105 -2.372 8.268 -2.172 1.00 23.72 C ATOM 1056 NE1 TRP B 105 -2.177 9.003 -4.257 1.00 22.83 N ATOM 1057 CE2 TRP B 105 -1.457 8.560 -3.186 1.00 23.32 C ATOM 1058 CE3 TRP B 105 -1.884 7.782 -0.943 1.00 24.00 C ATOM 1059 CZ2 TRP B 105 -0.071 8.389 -3.026 1.00 23.71 C ATOM 1060 CZ3 TRP B 105 -0.499 7.617 -0.786 1.00 22.95 C ATOM 1061 CH2 TRP B 105 0.381 7.914 -1.821 1.00 22.30 C ATOM 1062 HE1 TRP B 105 -1.777 9.296 -5.171 1.00 0.00 H ATOM 1063 H TRP B 105 -7.743 7.447 -1.668 1.00 0.00 H ATOM 1064 N GLN B 106 -6.328 7.859 -5.056 1.00 26.55 N ATOM 1065 CA GLN B 106 -6.349 6.895 -6.134 1.00 29.08 C ATOM 1066 C GLN B 106 -5.012 6.769 -6.879 1.00 30.94 C ATOM 1067 O GLN B 106 -4.446 7.766 -7.306 1.00 33.24 O ATOM 1068 CB GLN B 106 -7.409 7.307 -7.120 1.00 30.77 C ATOM 1069 CG GLN B 106 -7.975 6.130 -7.845 1.00 33.31 C ATOM 1070 CD GLN B 106 -8.948 6.534 -8.904 1.00 33.35 C ATOM 1071 OE1 GLN B 106 -8.949 7.671 -9.373 1.00 34.74 O ATOM 1072 NE2 GLN B 106 -9.771 5.598 -9.307 1.00 34.39 N ATOM 1073 HE22 GLN B 106 -9.731 4.651 -8.879 1.00 0.00 H ATOM 1074 HE21 GLN B 106 -10.464 5.802 -10.055 1.00 0.00 H ATOM 1075 H GLN B 106 -6.340 8.874 -5.282 1.00 0.00 H ATOM 1076 N SER B 107 -4.520 5.545 -7.063 1.00 31.47 N ATOM 1077 CA SER B 107 -3.269 5.325 -7.801 1.00 30.95 C ATOM 1078 C SER B 107 -3.425 4.236 -8.873 1.00 29.76 C ATOM 1079 O SER B 107 -4.176 3.281 -8.698 1.00 27.33 O ATOM 1080 CB SER B 107 -2.132 4.953 -6.838 1.00 32.07 C ATOM 1081 OG SER B 107 -1.773 6.016 -5.973 1.00 33.24 O ATOM 1082 HG SER B 107 -1.039 5.722 -5.377 1.00 0.00 H ATOM 1083 H SER B 107 -5.033 4.727 -6.676 1.00 0.00 H ATOM 1084 N LEU B 108 -2.708 4.399 -9.983 1.00 29.95 N ATOM 1085 CA LEU B 108 -2.646 3.377 -11.024 1.00 29.41 C ATOM 1086 C LEU B 108 -1.510 2.455 -10.703 1.00 29.62 C ATOM 1087 O LEU B 108 -0.436 2.892 -10.305 1.00 28.70 O ATOM 1088 CB LEU B 108 -2.385 3.978 -12.397 1.00 30.36 C ATOM 1089 CG LEU B 108 -2.547 3.033 -13.599 1.00 31.83 C ATOM 1090 CD1 LEU B 108 -3.930 2.403 -13.594 1.00 32.93 C ATOM 1091 CD2 LEU B 108 -2.314 3.758 -14.925 1.00 32.08 C ATOM 1092 H LEU B 108 -2.175 5.283 -10.113 1.00 0.00 H ATOM 1093 N ILE B 109 -1.750 1.169 -10.914 1.00 30.76 N ATOM 1094 CA ILE B 109 -0.827 0.132 -10.528 1.00 30.56 C ATOM 1095 C ILE B 109 -0.646 -0.808 -11.699 1.00 31.69 C ATOM 1096 O ILE B 109 -1.577 -1.456 -12.153 1.00 30.10 O ATOM 1097 CB ILE B 109 -1.344 -0.546 -9.261 1.00 31.11 C ATOM 1098 CG1 ILE B 109 -1.075 0.402 -8.096 1.00 30.83 C ATOM 1099 CG2 ILE B 109 -0.685 -1.899 -9.024 1.00 32.64 C ATOM 1100 CD1 ILE B 109 -1.571 -0.086 -6.772 1.00 31.78 C ATOM 1101 H ILE B 109 -2.641 0.897 -11.377 1.00 0.00 H ATOM 1102 N GLU B 110 0.575 -0.820 -12.211 1.00 36.25 N ATOM 1103 CA GLU B 110 0.923 -1.589 -13.382 1.00 37.21 C ATOM 1104 C GLU B 110 2.060 -2.504 -12.986 1.00 36.52 C ATOM 1105 O GLU B 110 2.926 -2.119 -12.208 1.00 37.71 O ATOM 1106 CB GLU B 110 1.349 -0.647 -14.501 1.00 40.77 C ATOM 1107 CG GLU B 110 1.112 -1.197 -15.906 1.00 46.81 C ATOM 1108 CD GLU B 110 1.192 -0.119 -16.984 1.00 53.24 C ATOM 1109 OE1 GLU B 110 1.411 1.060 -16.585 1.00 50.90 O ATOM 1110 OE2 GLU B 110 1.028 -0.448 -18.211 1.00 54.80 O ATOM 1111 H GLU B 110 1.314 -0.252 -11.750 1.00 0.00 H ATOM 1112 N ALA B 111 2.025 -3.735 -13.479 1.00 37.52 N ATOM 1113 CA ALA B 111 3.110 -4.679 -13.275 1.00 36.90 C ATOM 1114 C ALA B 111 3.926 -4.780 -14.562 1.00 38.99 C ATOM 1115 O ALA B 111 3.412 -4.544 -15.667 1.00 40.73 O ATOM 1116 CB ALA B 111 2.573 -6.040 -12.852 1.00 35.32 C ATOM 1117 H ALA B 111 1.194 -4.034 -14.029 1.00 0.00 H ATOM 1118 N ALA B 112 5.204 -5.119 -14.404 1.00 41.44 N ATOM 1119 CA ALA B 112 6.107 -5.369 -15.527 1.00 43.36 C ATOM 1120 C ALA B 112 5.731 -6.675 -16.238 1.00 43.41 C ATOM 1121 O ALA B 112 5.198 -7.587 -15.612 1.00 41.89 O ATOM 1122 CB ALA B 112 7.550 -5.453 -15.027 1.00 43.47 C ATOM 1123 H ALA B 112 5.577 -5.210 -13.438 1.00 0.00 H ATOM 1124 N PRO B 113 6.028 -6.774 -17.542 1.00 45.06 N ATOM 1125 CA PRO B 113 5.807 -8.027 -18.260 1.00 45.93 C ATOM 1126 C PRO B 113 6.329 -9.260 -17.510 1.00 44.92 C ATOM 1127 O PRO B 113 5.593 -10.240 -17.364 1.00 45.35 O ATOM 1128 CB PRO B 113 6.562 -7.832 -19.581 1.00 47.37 C ATOM 1129 CG PRO B 113 6.900 -6.374 -19.674 1.00 47.65 C ATOM 1130 CD PRO B 113 6.430 -5.675 -18.438 1.00 46.87 C ATOM 1131 N GLU B 114 7.558 -9.205 -17.004 1.00 43.11 N ATOM 1132 CA GLU B 114 8.131 -10.362 -16.299 1.00 43.16 C ATOM 1133 C GLU B 114 7.247 -10.795 -15.154 1.00 41.25 C ATOM 1134 O GLU B 114 7.181 -11.965 -14.842 1.00 44.19 O ATOM 1135 CB GLU B 114 9.536 -10.084 -15.739 1.00 46.17 C ATOM 1136 CG GLU B 114 10.644 -9.894 -16.769 1.00 48.42 C ATOM 1137 CD GLU B 114 10.761 -8.456 -17.263 1.00 52.84 C ATOM 1138 OE1 GLU B 114 9.799 -7.651 -17.117 1.00 53.44 O ATOM 1139 OE2 GLU B 114 11.833 -8.128 -17.807 1.00 57.68 O ATOM 1140 H GLU B 114 8.119 -8.336 -17.108 1.00 0.00 H ATOM 1141 N SER B 115 6.593 -9.846 -14.501 1.00 41.79 N ATOM 1142 CA SER B 115 5.676 -10.167 -13.412 1.00 40.88 C ATOM 1143 C SER B 115 4.448 -10.855 -13.961 1.00 38.56 C ATOM 1144 O SER B 115 3.967 -11.836 -13.394 1.00 35.96 O ATOM 1145 CB SER B 115 5.241 -8.906 -12.664 1.00 41.79 C ATOM 1146 OG SER B 115 6.360 -8.198 -12.180 1.00 46.09 O ATOM 1147 HG SER B 115 6.054 -7.388 -11.701 1.00 0.00 H ATOM 1148 H SER B 115 6.736 -8.852 -14.770 1.00 0.00 H ATOM 1149 N GLN B 116 3.951 -10.319 -15.070 1.00 38.10 N ATOM 1150 CA GLN B 116 2.766 -10.845 -15.729 1.00 38.37 C ATOM 1151 C GLN B 116 2.981 -12.260 -16.259 1.00 37.29 C ATOM 1152 O GLN B 116 2.017 -12.979 -16.451 1.00 37.38 O ATOM 1153 CB GLN B 116 2.326 -9.916 -16.861 1.00 38.04 C ATOM 1154 CG GLN B 116 2.036 -8.488 -16.391 1.00 40.30 C ATOM 1155 CD GLN B 116 1.216 -7.704 -17.393 1.00 40.40 C ATOM 1156 OE1 GLN B 116 1.555 -7.639 -18.562 1.00 38.38 O ATOM 1157 NE2 GLN B 116 0.116 -7.131 -16.942 1.00 42.53 N ATOM 1158 HE22 GLN B 116 -0.137 -7.211 -15.936 1.00 0.00 H ATOM 1159 HE21 GLN B 116 -0.498 -6.600 -17.592 1.00 0.00 H ATOM 1160 H GLN B 116 4.427 -9.492 -15.483 1.00 0.00 H ATOM 1161 N MET B 117 4.238 -12.664 -16.457 1.00 36.29 N ATOM 1162 CA MET B 117 4.562 -14.020 -16.935 1.00 37.73 C ATOM 1163 C MET B 117 4.579 -15.102 -15.853 1.00 38.08 C ATOM 1164 O MET B 117 4.978 -16.238 -16.122 1.00 41.50 O ATOM 1165 CB MET B 117 5.904 -14.013 -17.686 1.00 36.21 C ATOM 1166 CG MET B 117 5.792 -13.345 -19.043 1.00 36.88 C ATOM 1167 SD MET B 117 4.528 -14.120 -20.078 1.00 36.06 S ATOM 1168 CE MET B 117 5.228 -15.771 -20.143 1.00 34.84 C ATOM 1169 H MET B 117 5.015 -11.999 -16.267 1.00 0.00 H ATOM 1170 N MET B 118 4.153 -14.751 -14.645 1.00 36.09 N ATOM 1171 CA MET B 118 4.065 -15.694 -13.548 1.00 36.06 C ATOM 1172 C MET B 118 2.586 -15.978 -13.196 1.00 35.30 C ATOM 1173 O MET B 118 1.751 -15.064 -13.157 1.00 33.30 O ATOM 1174 CB MET B 118 4.840 -15.132 -12.368 1.00 39.89 C ATOM 1175 CG MET B 118 6.312 -14.902 -12.715 1.00 42.04 C ATOM 1176 SD MET B 118 7.206 -13.928 -11.504 1.00 40.76 S ATOM 1177 CE MET B 118 7.642 -15.222 -10.357 1.00 44.16 C ATOM 1178 H MET B 118 3.872 -13.763 -14.480 1.00 0.00 H ATOM 1179 N PRO B 119 2.239 -17.262 -12.997 1.00 32.75 N ATOM 1180 CA PRO B 119 0.836 -17.587 -12.744 1.00 31.14 C ATOM 1181 C PRO B 119 0.443 -17.553 -11.263 1.00 30.96 C ATOM 1182 O PRO B 119 1.298 -17.768 -10.390 1.00 31.92 O ATOM 1183 CB PRO B 119 0.711 -19.012 -13.293 1.00 31.31 C ATOM 1184 CG PRO B 119 2.070 -19.593 -13.109 1.00 32.66 C ATOM 1185 CD PRO B 119 3.056 -18.463 -13.258 1.00 31.69 C ATOM 1186 N ALA B 120 -0.849 -17.336 -11.000 1.00 29.06 N ATOM 1187 CA ALA B 120 -1.398 -17.387 -9.655 1.00 28.55 C ATOM 1188 C ALA B 120 -0.852 -18.550 -8.867 1.00 28.57 C ATOM 1189 O ALA B 120 -0.507 -18.397 -7.696 1.00 28.24 O ATOM 1190 CB ALA B 120 -2.910 -17.475 -9.697 1.00 29.11 C ATOM 1191 H ALA B 120 -1.489 -17.122 -11.791 1.00 0.00 H ATOM 1192 N SER B 121 -0.783 -19.719 -9.505 1.00 30.11 N ATOM 1193 CA SER B 121 -0.289 -20.951 -8.841 1.00 29.31 C ATOM 1194 C SER B 121 1.136 -20.866 -8.310 1.00 28.90 C ATOM 1195 O SER B 121 1.470 -21.574 -7.395 1.00 30.79 O ATOM 1196 CB SER B 121 -0.387 -22.150 -9.791 1.00 27.65 C ATOM 1197 OG SER B 121 0.493 -21.987 -10.879 1.00 27.18 O ATOM 1198 HG SER B 121 0.418 -22.768 -11.482 1.00 0.00 H ATOM 1199 H SER B 121 -1.085 -19.769 -10.499 1.00 0.00 H ATOM 1200 N VAL B 122 1.969 -20.029 -8.916 1.00 29.88 N ATOM 1201 CA VAL B 122 3.367 -19.841 -8.509 1.00 31.54 C ATOM 1202 C VAL B 122 3.520 -18.630 -7.565 1.00 30.96 C ATOM 1203 O VAL B 122 4.379 -18.619 -6.666 1.00 29.73 O ATOM 1204 CB VAL B 122 4.261 -19.613 -9.767 1.00 33.69 C ATOM 1205 CG1 VAL B 122 5.675 -19.190 -9.399 1.00 34.10 C ATOM 1206 CG2 VAL B 122 4.314 -20.859 -10.632 1.00 34.56 C ATOM 1207 H VAL B 122 1.612 -19.477 -9.722 1.00 0.00 H ATOM 1208 N LEU B 123 2.706 -17.601 -7.799 1.00 30.47 N ATOM 1209 CA LEU B 123 2.774 -16.355 -7.028 1.00 29.67 C ATOM 1210 C LEU B 123 2.133 -16.498 -5.655 1.00 29.39 C ATOM 1211 O LEU B 123 2.659 -15.978 -4.656 1.00 28.83 O ATOM 1212 CB LEU B 123 2.104 -15.201 -7.782 1.00 29.14 C ATOM 1213 CG LEU B 123 2.790 -14.663 -9.051 1.00 29.05 C ATOM 1214 CD1 LEU B 123 1.917 -13.635 -9.748 1.00 29.80 C ATOM 1215 CD2 LEU B 123 4.139 -14.053 -8.744 1.00 28.87 C ATOM 1216 H LEU B 123 1.997 -17.684 -8.555 1.00 0.00 H ATOM 1217 N THR B 124 1.012 -17.210 -5.615 1.00 28.15 N ATOM 1218 CA THR B 124 0.169 -17.221 -4.437 1.00 27.64 C ATOM 1219 C THR B 124 0.939 -17.692 -3.210 1.00 29.42 C ATOM 1220 O THR B 124 1.543 -18.756 -3.224 1.00 29.66 O ATOM 1221 CB THR B 124 -1.068 -18.097 -4.615 1.00 25.33 C ATOM 1222 OG1 THR B 124 -1.895 -17.922 -3.472 1.00 26.36 O ATOM 1223 CG2 THR B 124 -0.712 -19.560 -4.739 1.00 24.14 C ATOM 1224 HG1 THR B 124 -2.706 -18.482 -3.564 1.00 0.00 H ATOM 1225 H THR B 124 0.734 -17.771 -6.446 1.00 0.00 H ATOM 1226 N GLY B 125 0.933 -16.863 -2.164 1.00 31.00 N ATOM 1227 CA GLY B 125 1.583 -17.178 -0.891 1.00 30.14 C ATOM 1228 C GLY B 125 3.052 -16.811 -0.861 1.00 29.92 C ATOM 1229 O GLY B 125 3.651 -16.825 0.191 1.00 34.07 O ATOM 1230 H GLY B 125 0.443 -15.950 -2.258 1.00 0.00 H ATOM 1231 N ASN B 126 3.640 -16.488 -2.002 1.00 29.02 N ATOM 1232 CA ASN B 126 5.076 -16.248 -2.084 1.00 29.08 C ATOM 1233 C ASN B 126 5.371 -14.794 -2.372 1.00 30.75 C ATOM 1234 O ASN B 126 6.533 -14.427 -2.560 1.00 30.86 O ATOM 1235 CB ASN B 126 5.671 -17.101 -3.198 1.00 28.84 C ATOM 1236 CG ASN B 126 5.539 -18.583 -2.923 1.00 29.24 C ATOM 1237 OD1 ASN B 126 5.034 -19.341 -3.751 1.00 28.79 O ATOM 1238 ND2 ASN B 126 5.965 -19.001 -1.745 1.00 29.51 N ATOM 1239 HD22 ASN B 126 6.386 -18.326 -1.075 1.00 0.00 H ATOM 1240 HD21 ASN B 126 5.880 -20.005 -1.487 1.00 0.00 H ATOM 1241 H ASN B 126 3.063 -16.403 -2.863 1.00 0.00 H ATOM 1242 N VAL B 127 4.315 -13.973 -2.412 1.00 31.47 N ATOM 1243 CA VAL B 127 4.431 -12.539 -2.676 1.00 31.43 C ATOM 1244 C VAL B 127 4.230 -11.731 -1.390 1.00 31.17 C ATOM 1245 O VAL B 127 3.320 -12.009 -0.600 1.00 31.65 O ATOM 1246 CB VAL B 127 3.406 -12.091 -3.750 1.00 31.97 C ATOM 1247 CG1 VAL B 127 3.365 -10.566 -3.900 1.00 31.39 C ATOM 1248 CG2 VAL B 127 3.748 -12.736 -5.080 1.00 32.86 C ATOM 1249 H VAL B 127 3.369 -14.373 -2.248 1.00 0.00 H ATOM 1250 N ILE B 128 5.076 -10.725 -1.191 1.00 31.13 N ATOM 1251 CA ILE B 128 4.970 -9.832 -0.036 1.00 30.37 C ATOM 1252 C ILE B 128 5.126 -8.431 -0.533 1.00 29.72 C ATOM 1253 O ILE B 128 6.141 -8.110 -1.133 1.00 28.72 O ATOM 1254 CB ILE B 128 6.048 -10.125 1.013 1.00 30.70 C ATOM 1255 CG1 ILE B 128 5.679 -11.389 1.770 1.00 32.40 C ATOM 1256 CG2 ILE B 128 6.191 -8.978 2.000 1.00 31.53 C ATOM 1257 CD1 ILE B 128 6.807 -11.938 2.604 1.00 34.53 C ATOM 1258 H ILE B 128 5.839 -10.567 -1.880 1.00 0.00 H ATOM 1259 N ILE B 129 4.116 -7.600 -0.312 1.00 30.96 N ATOM 1260 CA ILE B 129 4.280 -6.177 -0.570 1.00 32.95 C ATOM 1261 C ILE B 129 4.814 -5.520 0.704 1.00 31.63 C ATOM 1262 O ILE B 129 4.181 -5.565 1.752 1.00 27.58 O ATOM 1263 CB ILE B 129 2.981 -5.485 -1.030 1.00 35.46 C ATOM 1264 CG1 ILE B 129 2.377 -6.208 -2.235 1.00 36.52 C ATOM 1265 CG2 ILE B 129 3.263 -4.041 -1.448 1.00 36.42 C ATOM 1266 CD1 ILE B 129 1.221 -5.463 -2.888 1.00 36.68 C ATOM 1267 H ILE B 129 3.209 -7.964 0.045 1.00 0.00 H ATOM 1268 N GLU B 130 6.010 -4.950 0.591 1.00 34.13 N ATOM 1269 CA GLU B 130 6.578 -4.108 1.637 1.00 36.03 C ATOM 1270 C GLU B 130 6.232 -2.665 1.330 1.00 34.28 C ATOM 1271 O GLU B 130 6.596 -2.154 0.274 1.00 31.06 O ATOM 1272 CB GLU B 130 8.093 -4.256 1.728 1.00 37.50 C ATOM 1273 CG GLU B 130 8.640 -3.662 3.019 1.00 40.24 C ATOM 1274 CD GLU B 130 10.150 -3.733 3.107 1.00 42.43 C ATOM 1275 OE1 GLU B 130 10.840 -3.328 2.128 1.00 45.03 O ATOM 1276 OE2 GLU B 130 10.632 -4.182 4.166 1.00 41.66 O ATOM 1277 H GLU B 130 6.561 -5.111 -0.276 1.00 0.00 H ATOM 1278 N THR B 131 5.521 -2.034 2.261 1.00 34.25 N ATOM 1279 CA THR B 131 5.056 -0.671 2.102 1.00 35.32 C ATOM 1280 C THR B 131 5.772 0.256 3.066 1.00 34.73 C ATOM 1281 O THR B 131 5.655 0.082 4.283 1.00 35.66 O ATOM 1282 CB THR B 131 3.556 -0.571 2.407 1.00 36.88 C ATOM 1283 OG1 THR B 131 2.860 -1.686 1.819 1.00 38.93 O ATOM 1284 CG2 THR B 131 2.997 0.789 1.898 1.00 36.94 C ATOM 1285 HG1 THR B 131 1.893 -1.614 2.021 1.00 0.00 H ATOM 1286 H THR B 131 5.289 -2.540 3.139 1.00 0.00 H ATOM 1287 N LYS B 132 6.502 1.229 2.519 1.00 32.67 N ATOM 1288 CA LYS B 132 7.152 2.282 3.308 1.00 31.89 C ATOM 1289 C LYS B 132 6.400 3.598 3.212 1.00 28.12 C ATOM 1290 O LYS B 132 6.274 4.158 2.129 1.00 24.96 O ATOM 1291 CB LYS B 132 8.564 2.535 2.807 1.00 34.20 C ATOM 1292 CG LYS B 132 9.604 1.541 3.274 1.00 37.18 C ATOM 1293 CD LYS B 132 10.993 2.058 2.902 1.00 39.64 C ATOM 1294 CE LYS B 132 12.003 0.937 2.748 1.00 42.11 C ATOM 1295 NZ LYS B 132 12.002 0.060 3.951 1.00 43.26 N ATOM 1296 HZ1 LYS B 132 12.249 0.623 4.789 1.00 0.00 H ATOM 1297 HZ2 LYS B 132 11.056 -0.354 4.076 1.00 0.00 H ATOM 1298 HZ3 LYS B 132 12.700 -0.700 3.825 1.00 0.00 H ATOM 1299 H LYS B 132 6.616 1.242 1.485 1.00 0.00 H ATOM 1300 N PHE B 133 5.928 4.101 4.345 1.00 28.79 N ATOM 1301 CA PHE B 133 5.162 5.361 4.376 1.00 30.87 C ATOM 1302 C PHE B 133 6.096 6.476 4.821 1.00 29.57 C ATOM 1303 O PHE B 133 6.646 6.415 5.896 1.00 28.94 O ATOM 1304 CB PHE B 133 3.972 5.342 5.357 1.00 31.79 C ATOM 1305 CG PHE B 133 3.046 4.145 5.242 1.00 34.00 C ATOM 1306 CD1 PHE B 133 3.479 2.842 5.567 1.00 35.50 C ATOM 1307 CD2 PHE B 133 1.700 4.330 4.929 1.00 35.58 C ATOM 1308 CE1 PHE B 133 2.607 1.761 5.516 1.00 36.00 C ATOM 1309 CE2 PHE B 133 0.824 3.248 4.872 1.00 35.97 C ATOM 1310 CZ PHE B 133 1.276 1.966 5.165 1.00 36.18 C ATOM 1311 H PHE B 133 6.103 3.593 5.236 1.00 0.00 H ATOM 1312 N PHE B 134 6.264 7.490 3.988 1.00 31.57 N ATOM 1313 CA PHE B 134 7.103 8.639 4.316 1.00 32.98 C ATOM 1314 C PHE B 134 6.262 9.905 4.416 1.00 34.27 C ATOM 1315 O PHE B 134 5.207 10.002 3.796 1.00 34.42 O ATOM 1316 CB PHE B 134 8.137 8.878 3.219 1.00 32.97 C ATOM 1317 CG PHE B 134 9.188 7.816 3.115 1.00 33.01 C ATOM 1318 CD1 PHE B 134 10.347 7.903 3.860 1.00 33.10 C ATOM 1319 CD2 PHE B 134 9.048 6.770 2.230 1.00 33.09 C ATOM 1320 CE1 PHE B 134 11.329 6.940 3.771 1.00 33.22 C ATOM 1321 CE2 PHE B 134 10.038 5.804 2.128 1.00 34.58 C ATOM 1322 CZ PHE B 134 11.181 5.890 2.902 1.00 33.31 C ATOM 1323 H PHE B 134 5.781 7.468 3.067 1.00 0.00 H ATOM 1324 N ASP B 135 6.735 10.843 5.236 1.00 37.25 N ATOM 1325 CA ASP B 135 6.531 12.273 5.030 1.00 37.13 C ATOM 1326 C ASP B 135 7.899 12.751 4.535 1.00 37.39 C ATOM 1327 O ASP B 135 8.875 12.768 5.280 1.00 34.00 O ATOM 1328 CB ASP B 135 6.121 12.984 6.331 1.00 37.99 C ATOM 1329 CG ASP B 135 6.009 14.509 6.175 1.00 41.61 C ATOM 1330 OD1 ASP B 135 6.532 15.088 5.189 1.00 46.59 O ATOM 1331 OD2 ASP B 135 5.412 15.156 7.057 1.00 42.28 O ATOM 1332 H ASP B 135 7.279 10.539 6.068 1.00 0.00 H ATOM 1333 N ASP B 136 7.977 13.086 3.256 1.00 40.94 N ATOM 1334 CA ASP B 136 9.208 13.599 2.673 1.00 43.82 C ATOM 1335 C ASP B 136 10.382 12.603 2.849 1.00 46.08 C ATOM 1336 O ASP B 136 10.282 11.455 2.413 1.00 42.10 O ATOM 1337 CB ASP B 136 9.502 14.996 3.247 1.00 43.56 C ATOM 1338 CG ASP B 136 10.427 15.805 2.357 1.00 47.45 C ATOM 1339 OD1 ASP B 136 10.811 15.253 1.302 1.00 48.98 O ATOM 1340 OD2 ASP B 136 10.752 16.986 2.691 1.00 48.10 O ATOM 1341 H ASP B 136 7.137 12.980 2.653 1.00 0.00 H ATOM 1342 N ASP B 137 11.466 13.032 3.501 1.00 50.88 N ATOM 1343 CA ASP B 137 12.684 12.221 3.680 1.00 52.21 C ATOM 1344 C ASP B 137 12.624 11.310 4.908 1.00 49.37 C ATOM 1345 O ASP B 137 13.618 10.681 5.254 1.00 51.89 O ATOM 1346 CB ASP B 137 13.910 13.144 3.825 1.00 56.54 C ATOM 1347 CG ASP B 137 13.812 14.105 5.060 1.00 61.85 C ATOM 1348 OD1 ASP B 137 12.822 14.049 5.838 1.00 58.16 O ATOM 1349 OD2 ASP B 137 14.740 14.931 5.242 1.00 65.48 O ATOM 1350 H ASP B 137 11.450 13.990 3.904 1.00 0.00 H ATOM 1351 N LEU B 138 11.461 11.233 5.548 1.00 44.08 N ATOM 1352 CA LEU B 138 11.338 10.708 6.904 1.00 38.93 C ATOM 1353 C LEU B 138 10.485 9.460 6.937 1.00 37.57 C ATOM 1354 O LEU B 138 9.293 9.532 6.621 1.00 36.83 O ATOM 1355 CB LEU B 138 10.658 11.771 7.764 1.00 37.93 C ATOM 1356 CG LEU B 138 10.173 11.347 9.131 1.00 37.56 C ATOM 1357 CD1 LEU B 138 11.378 11.047 10.006 1.00 37.75 C ATOM 1358 CD2 LEU B 138 9.311 12.450 9.718 1.00 38.67 C ATOM 1359 H LEU B 138 10.602 11.561 5.061 1.00 0.00 H ATOM 1360 N LEU B 139 11.068 8.329 7.342 1.00 36.33 N ATOM 1361 CA LEU B 139 10.318 7.058 7.427 1.00 34.78 C ATOM 1362 C LEU B 139 9.361 7.000 8.629 1.00 32.02 C ATOM 1363 O LEU B 139 9.792 7.051 9.758 1.00 31.89 O ATOM 1364 CB LEU B 139 11.281 5.863 7.469 1.00 34.49 C ATOM 1365 CG LEU B 139 10.664 4.456 7.540 1.00 35.25 C ATOM 1366 CD1 LEU B 139 9.638 4.223 6.434 1.00 36.22 C ATOM 1367 CD2 LEU B 139 11.770 3.422 7.466 1.00 34.25 C ATOM 1368 H LEU B 139 12.074 8.343 7.604 1.00 0.00 H ATOM 1369 N VAL B 140 8.065 6.873 8.374 1.00 31.50 N ATOM 1370 CA VAL B 140 7.065 6.828 9.446 1.00 32.02 C ATOM 1371 C VAL B 140 6.767 5.407 9.910 1.00 33.57 C ATOM 1372 O VAL B 140 6.710 5.146 11.119 1.00 34.29 O ATOM 1373 CB VAL B 140 5.756 7.539 9.019 1.00 31.84 C ATOM 1374 CG1 VAL B 140 4.616 7.251 9.976 1.00 32.55 C ATOM 1375 CG2 VAL B 140 5.962 9.047 8.937 1.00 31.37 C ATOM 1376 H VAL B 140 7.749 6.803 7.386 1.00 0.00 H ATOM 1377 N SER B 141 6.569 4.501 8.954 1.00 34.80 N ATOM 1378 CA SER B 141 6.129 3.138 9.241 1.00 35.00 C ATOM 1379 C SER B 141 6.501 2.199 8.104 1.00 33.08 C ATOM 1380 O SER B 141 6.622 2.621 6.967 1.00 32.74 O ATOM 1381 CB SER B 141 4.607 3.134 9.449 1.00 38.75 C ATOM 1382 OG SER B 141 4.079 1.838 9.737 1.00 41.88 O ATOM 1383 HG SER B 141 3.099 1.902 9.860 1.00 0.00 H ATOM 1384 H SER B 141 6.734 4.775 7.964 1.00 0.00 H ATOM 1385 N THR B 142 6.700 0.927 8.430 1.00 33.41 N ATOM 1386 CA THR B 142 7.003 -0.126 7.453 1.00 33.09 C ATOM 1387 C THR B 142 6.181 -1.358 7.790 1.00 32.59 C ATOM 1388 O THR B 142 6.376 -1.941 8.867 1.00 32.87 O ATOM 1389 CB THR B 142 8.497 -0.541 7.445 1.00 33.07 C ATOM 1390 OG1 THR B 142 9.294 0.540 6.953 1.00 34.51 O ATOM 1391 CG2 THR B 142 8.724 -1.748 6.532 1.00 33.62 C ATOM 1392 HG1 THR B 142 10.247 0.271 6.950 1.00 0.00 H ATOM 1393 H THR B 142 6.638 0.662 9.434 1.00 0.00 H ATOM 1394 N SER B 143 5.296 -1.737 6.857 1.00 30.83 N ATOM 1395 CA SER B 143 4.374 -2.863 6.997 1.00 29.85 C ATOM 1396 C SER B 143 4.537 -3.833 5.850 1.00 30.75 C ATOM 1397 O SER B 143 4.974 -3.484 4.749 1.00 30.74 O ATOM 1398 CB SER B 143 2.914 -2.372 6.997 1.00 31.27 C ATOM 1399 OG SER B 143 2.471 -1.887 5.724 1.00 29.29 O ATOM 1400 HG SER B 143 1.530 -1.589 5.795 1.00 0.00 H ATOM 1401 H SER B 143 5.263 -1.192 5.972 1.00 0.00 H ATOM 1402 N ARG B 144 4.167 -5.070 6.083 1.00 32.19 N ATOM 1403 CA ARG B 144 4.230 -5.998 5.002 1.00 33.19 C ATOM 1404 C ARG B 144 2.988 -6.842 4.975 1.00 33.42 C ATOM 1405 O ARG B 144 2.354 -7.091 6.013 1.00 32.61 O ATOM 1406 CB ARG B 144 5.555 -6.787 4.965 1.00 36.23 C ATOM 1407 CG ARG B 144 5.986 -7.482 6.227 1.00 38.91 C ATOM 1408 CD ARG B 144 7.505 -7.418 6.420 1.00 40.80 C ATOM 1409 NE ARG B 144 8.318 -7.924 5.309 1.00 42.35 N ATOM 1410 CZ ARG B 144 8.492 -9.216 4.993 1.00 45.38 C ATOM 1411 NH1 ARG B 144 7.851 -10.181 5.675 1.00 42.01 N ATOM 1412 NH2 ARG B 144 9.298 -9.548 3.963 1.00 43.71 N ATOM 1413 HE ARG B 144 8.801 -7.220 4.715 1.00 0.00 H ATOM 1414 HH12 ARG B 144 7.994 -11.179 5.421 1.00 0.00 H ATOM 1415 HH11 ARG B 144 7.213 -9.929 6.456 1.00 0.00 H ATOM 1416 HH22 ARG B 144 9.437 -10.548 3.713 1.00 0.00 H ATOM 1417 HH21 ARG B 144 9.780 -8.804 3.419 1.00 0.00 H ATOM 1418 H ARG B 144 3.839 -5.364 7.025 1.00 0.00 H ATOM 1419 N VAL B 145 2.636 -7.228 3.746 1.00 32.57 N ATOM 1420 CA VAL B 145 1.410 -7.929 3.439 1.00 32.07 C ATOM 1421 C VAL B 145 1.804 -9.118 2.572 1.00 31.51 C ATOM 1422 O VAL B 145 2.457 -8.950 1.531 1.00 29.42 O ATOM 1423 CB VAL B 145 0.404 -7.033 2.664 1.00 32.27 C ATOM 1424 CG1 VAL B 145 -0.945 -7.711 2.578 1.00 33.21 C ATOM 1425 CG2 VAL B 145 0.245 -5.663 3.321 1.00 33.83 C ATOM 1426 H VAL B 145 3.284 -7.011 2.962 1.00 0.00 H ATOM 1427 N ARG B 146 1.408 -10.308 3.009 1.00 30.59 N ATOM 1428 CA ARG B 146 1.544 -11.497 2.192 1.00 30.32 C ATOM 1429 C ARG B 146 0.282 -11.673 1.342 1.00 30.09 C ATOM 1430 O ARG B 146 -0.832 -11.641 1.860 1.00 28.80 O ATOM 1431 CB ARG B 146 1.776 -12.716 3.078 1.00 30.21 C ATOM 1432 CG ARG B 146 2.048 -13.996 2.320 1.00 30.58 C ATOM 1433 CD ARG B 146 2.223 -15.122 3.317 1.00 32.36 C ATOM 1434 NE ARG B 146 2.717 -16.353 2.704 1.00 33.12 N ATOM 1435 CZ ARG B 146 2.987 -17.469 3.379 1.00 34.45 C ATOM 1436 NH1 ARG B 146 2.822 -17.528 4.705 1.00 32.49 N ATOM 1437 NH2 ARG B 146 3.437 -18.540 2.725 1.00 35.98 N ATOM 1438 HE ARG B 146 2.867 -16.358 1.675 1.00 0.00 H ATOM 1439 HH12 ARG B 146 3.037 -18.407 5.217 1.00 0.00 H ATOM 1440 HH11 ARG B 146 2.478 -16.695 5.224 1.00 0.00 H ATOM 1441 HH22 ARG B 146 3.650 -19.415 3.245 1.00 0.00 H ATOM 1442 HH21 ARG B 146 3.575 -18.500 1.695 1.00 0.00 H ATOM 1443 H ARG B 146 0.991 -10.388 3.958 1.00 0.00 H ATOM 1444 N LEU B 147 0.460 -11.871 0.040 1.00 30.67 N ATOM 1445 CA LEU B 147 -0.677 -12.019 -0.871 1.00 32.57 C ATOM 1446 C LEU B 147 -0.909 -13.446 -1.349 1.00 34.45 C ATOM 1447 O LEU B 147 0.036 -14.163 -1.700 1.00 34.17 O ATOM 1448 CB LEU B 147 -0.505 -11.149 -2.107 1.00 33.58 C ATOM 1449 CG LEU B 147 -1.093 -9.747 -2.001 1.00 33.73 C ATOM 1450 CD1 LEU B 147 -0.406 -8.946 -0.909 1.00 33.61 C ATOM 1451 CD2 LEU B 147 -0.925 -9.087 -3.346 1.00 34.86 C ATOM 1452 H LEU B 147 1.427 -11.922 -0.340 1.00 0.00 H ATOM 1453 N PHE B 148 -2.185 -13.828 -1.377 1.00 32.59 N ATOM 1454 CA PHE B 148 -2.604 -15.048 -1.994 1.00 30.30 C ATOM 1455 C PHE B 148 -3.507 -14.675 -3.159 1.00 30.99 C ATOM 1456 O PHE B 148 -4.344 -13.788 -3.024 1.00 30.40 O ATOM 1457 CB PHE B 148 -3.349 -15.878 -0.978 1.00 29.07 C ATOM 1458 CG PHE B 148 -2.517 -16.256 0.216 1.00 28.60 C ATOM 1459 CD1 PHE B 148 -2.282 -15.336 1.248 1.00 28.10 C ATOM 1460 CD2 PHE B 148 -1.974 -17.540 0.328 1.00 26.52 C ATOM 1461 CE1 PHE B 148 -1.530 -15.697 2.362 1.00 27.07 C ATOM 1462 CE2 PHE B 148 -1.212 -17.893 1.422 1.00 25.70 C ATOM 1463 CZ PHE B 148 -0.994 -16.983 2.443 1.00 26.48 C ATOM 1464 H PHE B 148 -2.901 -13.218 -0.935 1.00 0.00 H ATOM 1465 N TYR B 149 -3.328 -15.350 -4.293 1.00 32.65 N ATOM 1466 CA TYR B 149 -4.215 -15.213 -5.458 1.00 35.26 C ATOM 1467 C TYR B 149 -5.160 -16.417 -5.555 1.00 36.72 C ATOM 1468 O TYR B 149 -4.770 -17.497 -6.047 1.00 36.44 O ATOM 1469 CB TYR B 149 -3.399 -15.044 -6.746 1.00 35.58 C ATOM 1470 CG TYR B 149 -2.543 -13.805 -6.705 1.00 36.17 C ATOM 1471 CD1 TYR B 149 -3.045 -12.585 -7.127 1.00 35.67 C ATOM 1472 CD2 TYR B 149 -1.230 -13.847 -6.206 1.00 36.51 C ATOM 1473 CE1 TYR B 149 -2.269 -11.445 -7.081 1.00 36.21 C ATOM 1474 CE2 TYR B 149 -0.441 -12.710 -6.158 1.00 35.61 C ATOM 1475 CZ TYR B 149 -0.966 -11.505 -6.591 1.00 36.22 C ATOM 1476 OH TYR B 149 -0.205 -10.349 -6.542 1.00 34.40 O ATOM 1477 HH TYR B 149 -0.737 -9.590 -6.889 1.00 0.00 H ATOM 1478 H TYR B 149 -2.523 -16.005 -4.358 1.00 0.00 H ATOM 1479 N VAL B 150 -6.405 -16.193 -5.114 1.00 37.53 N ATOM 1480 CA VAL B 150 -7.356 -17.262 -4.777 1.00 39.03 C ATOM 1481 C VAL B 150 -8.540 -17.380 -5.723 1.00 39.80 C ATOM 1482 O VAL B 150 -8.711 -16.634 -6.698 1.00 41.06 O ATOM 1483 CB VAL B 150 -7.928 -17.078 -3.350 1.00 40.63 C ATOM 1484 CG1 VAL B 150 -6.800 -16.839 -2.356 1.00 42.68 C ATOM 1485 CG2 VAL B 150 -8.954 -15.937 -3.288 1.00 39.93 C ATOM 1486 OXT VAL B 150 -9.367 -18.262 -5.483 1.00 40.13 O ATOM 1487 H VAL B 150 -6.716 -15.207 -5.004 1.00 0.00 H TER 1488 VAL B 150 HETATM 1489 O HOH 1 8.846 -1.789 -10.594 1.00 35.15 O HETATM 1490 O HOH 2 -10.737 1.968 -6.658 1.00 40.62 O HETATM 1491 O HOH 3 -9.644 -6.454 5.263 1.00 29.36 O HETATM 1492 O HOH 4 10.917 -10.489 1.745 1.00 32.61 O HETATM 1493 O HOH 5 8.661 16.594 6.486 1.00 35.06 O HETATM 1494 O HOH 6 5.039 3.480 -9.229 1.00 26.47 O HETATM 1495 O HOH 7 2.688 1.364 -10.420 1.00 41.58 O HETATM 1496 CBE UNN A 8 1.770 -7.899 -7.987 1.00 -0.03 C HETATM 1497 CAZ UNN A 8 1.408 -8.253 -9.298 1.00 -0.01 C HETATM 1498 CBA UNN A 8 2.134 -9.242 -9.959 1.00 0.03 C HETATM 1499 CL1 UNN A 8 3.415 -9.971 -9.136 1.00 -0.08 CL HETATM 1500 CBB UNN A 8 1.841 -9.641 -11.263 1.00 -0.07 C HETATM 1501 CBC UNN A 8 0.794 -9.045 -11.949 1.00 -0.08 C HETATM 1502 CBD UNN A 8 0.047 -8.064 -11.304 1.00 -0.05 C HETATM 1503 CAY UNN A 8 0.353 -7.679 -9.996 1.00 0.07 C HETATM 1504 NAW UNN A 8 -0.394 -6.732 -9.437 1.00 -0.24 N HETATM 1505 CAV UNN A 8 -1.110 -6.954 -8.305 1.00 0.20 C HETATM 1506 OAX UNN A 8 -1.064 -7.964 -7.602 1.00 -0.39 O HETATM 1507 CAU UNN A 8 -1.986 -5.773 -7.966 1.00 0.05 C HETATM 1508 CAT UNN A 8 -2.328 -5.804 -6.489 1.00 -0.01 C HETATM 1509 CAS UNN A 8 -1.810 -4.513 -5.943 1.00 0.07 C HETATM 1510 NAA UNN A 8 -1.954 -4.466 -4.468 1.00 -0.18 N HETATM 1511 CAF UNN A 8 -1.520 -3.340 -3.861 1.00 0.24 C HETATM 1512 OAJ UNN A 8 -1.052 -2.417 -4.517 1.00 -0.39 O HETATM 1513 CAE UNN A 8 -1.584 -3.211 -2.556 1.00 0.12 C HETATM 1514 CAD UNN A 8 -2.087 -4.192 -1.837 1.00 0.04 C HETATM 1515 CAC UNN A 8 -2.532 -5.307 -2.436 1.00 0.02 C HETATM 1516 NAB UNN A 8 -2.438 -5.419 -3.780 1.00 -0.22 N HETATM 1517 CAL UNN A 8 -3.084 -6.353 -1.695 1.00 -0.02 C HETATM 1518 H14 UNN A 8 -3.079 -6.088 -0.627 1.00 0.04 H HETATM 1519 H15 UNN A 8 -2.489 -7.265 -1.849 1.00 0.04 H HETATM 1520 H16 UNN A 8 -4.119 -6.530 -2.024 1.00 0.04 H HETATM 1521 CAG UNN A 8 -2.002 -3.728 -0.601 1.00 0.10 C HETATM 1522 CAK UNN A 8 -2.455 -4.463 0.666 1.00 0.01 C HETATM 1523 H17 UNN A 8 -2.875 -5.442 0.392 1.00 0.05 H HETATM 1524 H18 UNN A 8 -3.222 -3.866 1.182 1.00 0.05 H HETATM 1525 H19 UNN A 8 -1.593 -4.608 1.334 1.00 0.05 H HETATM 1526 NAH UNN A 8 -1.449 -2.520 -0.629 1.00 -0.15 N HETATM 1527 NAI UNN A 8 -1.215 -2.227 -1.745 1.00 -0.19 N HETATM 1528 CAM UNN A 8 -1.192 -1.757 0.417 1.00 0.11 C HETATM 1529 CAN UNN A 8 -0.406 -2.279 1.439 1.00 -0.02 C HETATM 1530 CAO UNN A 8 -0.114 -1.512 2.554 1.00 -0.07 C HETATM 1531 CAP UNN A 8 -0.597 -0.217 2.618 1.00 -0.07 C HETATM 1532 CAQ UNN A 8 -1.366 0.310 1.579 1.00 -0.07 C HETATM 1533 CAR UNN A 8 -1.671 -0.459 0.471 1.00 -0.02 C HETATM 1534 H24 UNN A 8 -2.271 -0.055 -0.336 1.00 0.06 H HETATM 1535 H23 UNN A 8 -1.727 1.330 1.641 1.00 0.06 H HETATM 1536 H22 UNN A 8 -0.376 0.395 3.485 1.00 0.06 H HETATM 1537 H21 UNN A 8 0.482 -1.919 3.363 1.00 0.06 H HETATM 1538 H20 UNN A 8 -0.021 -3.289 1.362 1.00 0.06 H HETATM 1539 H12 UNN A 8 -2.377 -3.681 -6.387 1.00 0.06 H HETATM 1540 H13 UNN A 8 -0.746 -4.413 -6.204 1.00 0.06 H HETATM 1541 H10 UNN A 8 -1.837 -6.656 -5.997 1.00 0.03 H HETATM 1542 H11 UNN A 8 -3.416 -5.875 -6.346 1.00 0.03 H HETATM 1543 H8 UNN A 8 -2.912 -5.822 -8.558 1.00 0.05 H HETATM 1544 H9 UNN A 8 -1.451 -4.841 -8.199 1.00 0.05 H HETATM 1545 H7 UNN A 8 -0.430 -5.828 -9.864 1.00 0.22 H HETATM 1546 H6 UNN A 8 -0.781 -7.593 -11.822 1.00 0.05 H HETATM 1547 H5 UNN A 8 0.562 -9.337 -12.967 1.00 0.05 H HETATM 1548 H4 UNN A 8 2.431 -10.416 -11.739 1.00 0.05 H HETATM 1549 H1 UNN A 8 2.635 -8.501 -7.670 1.00 0.04 H HETATM 1550 H2 UNN A 8 0.924 -8.088 -7.309 1.00 0.04 H HETATM 1551 H3 UNN A 8 2.035 -6.832 -7.955 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1496 1497 1549 1550 1551 CONECT 1497 1496 1498 1503 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1548 CONECT 1501 1500 1502 1547 CONECT 1502 1501 1503 1546 CONECT 1503 1497 1502 1504 CONECT 1504 1503 1505 1545 CONECT 1505 1504 1506 1507 CONECT 1506 1505 CONECT 1507 1505 1508 1543 1544 CONECT 1508 1507 1509 1541 1542 CONECT 1509 1508 1510 1539 1540 CONECT 1510 1509 1511 1516 CONECT 1511 1510 1512 1513 CONECT 1512 1511 CONECT 1513 1511 1514 1527 CONECT 1514 1513 1515 1521 CONECT 1515 1514 1516 1517 CONECT 1516 1510 1515 CONECT 1517 1515 1518 1519 1520 CONECT 1518 1517 CONECT 1519 1517 CONECT 1520 1517 CONECT 1521 1514 1522 1526 CONECT 1522 1521 1523 1524 1525 CONECT 1523 1522 CONECT 1524 1522 CONECT 1525 1522 CONECT 1526 1521 1527 1528 CONECT 1527 1513 1526 CONECT 1528 1526 1529 1533 CONECT 1529 1528 1530 1538 CONECT 1530 1529 1531 1537 CONECT 1531 1530 1532 1536 CONECT 1532 1531 1533 1535 CONECT 1533 1528 1532 1534 CONECT 1534 1533 CONECT 1535 1532 CONECT 1536 1531 CONECT 1537 1530 CONECT 1538 1529 CONECT 1539 1509 CONECT 1540 1509 CONECT 1541 1508 CONECT 1542 1508 CONECT 1543 1507 CONECT 1544 1507 CONECT 1545 1504 CONECT 1546 1502 CONECT 1547 1501 CONECT 1548 1500 CONECT 1549 1496 CONECT 1550 1496 CONECT 1551 1496 MASTER 0 0 0 0 0 0 0 0 1550 1 60 12 END
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Related entries of code: 5e80
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
152aa, >3T5I_1|Chains... *
4jv6
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PDBbind
152aa, >4JV6_1|Chain... at 100%
4jv8
RCSB PDB
PDBbind
152aa, >4JV8_1|Chain... at 100%
4jvb
RCSB PDB
PDBbind
152aa, >4JVB_1|Chain... at 100%
5e8f
RCSB PDB
PDBbind
149aa, >5E8F_1|Chains... at 100%
5f2u
RCSB PDB
PDBbind
149aa, >5F2U_1|Chains... at 100%
5ml2
RCSB PDB
PDBbind
149aa, >5ML2_1|Chain... at 100%
5ml3
RCSB PDB
PDBbind
149aa, >5ML3_1|Chain... at 100%
5ml4
RCSB PDB
PDBbind
149aa, >5ML4_1|Chain... at 100%
5ml6
RCSB PDB
PDBbind
149aa, >5ML6_1|Chain... at 100%
5ml8
RCSB PDB
PDBbind
149aa, >5ML8_1|Chain... at 100%
5tar
RCSB PDB
PDBbind
148aa, >5TAR_2|Chain... at 100%
5x72
RCSB PDB
PDBbind
150aa, >5X72_1|Chain... at 100%
5x73
RCSB PDB
PDBbind
150aa, >5X73_1|Chain... at 100%
5x74
RCSB PDB
PDBbind
150aa, >5X74_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5e80
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human PDE subunit delta
Ligand Name
5KP
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=5nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 11360-11360
Ligand Properties
Formula
C
2
4
H
2
4
ClN
5
O
2
Molecular Weight
449.933
Exact Mass
449.162
No. of atoms
56
No. of bonds
59
Polar Surface Area
81.81
LOGP Value
4.06 (
Computed with XLOGP3
)
4.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
O=C(Nc1cccc(c1C)Cl)CCCn1nc(C)c2c(c1=O)nn(c2C)c1ccccc1
InChI String
InChI=1S/C24H24ClN5O2/c1-15-19(25)11-7-12-20(15)26-21(31)13-8-14-29-24(32)23-22(16(2)27-29)17(3)30(28-23)18-9-5-4-6-10-18/h4-7,9-12H,8,13-14H2,1-3H3,(H,26,31)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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